(4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate

C88H126N6O18 — CID 157395277

IUPAC(4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate
SMILESCCCCCCCCCCOC(=O)N[C@H]1CCC1=O.CCCCCCCCCOC(=O)N[C@H]1CCC1=O.CCCCc1ccc(COC(=O)N[C@H]2CCC2=O)cc1.Cc1ccccc1CCCCOC(=O)N[C@H]1CCC1=O.O=C(N[C@H]1CCC1=O)OCCCc1ccccc1.O=C(N[C@H]1CCC1=O)OCCc1ccccc1
InChIInChI=1S/2C16H21NO3.C15H27NO3.C14H17NO3.C14H25NO3.C13H15NO3/c1-12-6-2-3-7-13(12)8-4-5-11-20-16(19)17-14-9-10-15(14)18;1-2-3-4-12-5-7-13(8-6-12)11-20-16(19)17-14-9-10-15(14)18;1-2-3-4-5-6-7-8-9-12-19-15(18)16-13-10-11-14(13)17;16-13-9-8-12(13)15-14(17)18-10-4-7-11-5-2-1-3-6-11;1-2-3-4-5-6-7-8-11-18-14(17)15-12-9-10-13(12)16;15-12-7-6-11(12)14-13(16)17-9-8-10-4-2-1-3-5-10/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,17,19);5-8,14H,2-4,9-11H2,1H3,(H,17,19);13H,2-12H2,1H3,(H,16,18);1-3,5-6,12H,4,7-10H2,(H,15,17);12H,2-11H2,1H3,(H,15,17);1-5,11H,6-9H2,(H,14,16)/t2*14-;13-;2*12-;11-/m000000/s1
InChIKeyBMMOZNYSPWHWCB-DNUKMYKTSA-N
MW1556.00 g/mol
LogP16.31
Rot. Bonds40

About (4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate

(4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate (PubChem CID 157395277) has the molecular formula C88H126N6O18 and a molecular weight of 1556.00 g/mol. Its IUPAC name is (4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate.

Molecular Properties

Compound Name(4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate
PubChem CID157395277
Molecular FormulaC88H126N6O18
Molecular Weight1556.00 g/mol
Exact Mass1554.91
IUPAC Name(4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate
SMILESCCCCCCCCCCOC(=O)N[C@H]1CCC1=O.CCCCCCCCCOC(=O)N[C@H]1CCC1=O.CCCCc1ccc(COC(=O)N[C@H]2CCC2=O)cc1.Cc1ccccc1CCCCOC(=O)N[C@H]1CCC1=O.O=C(N[C@H]1CCC1=O)OCCCc1ccccc1.O=C(N[C@H]1CCC1=O)OCCc1ccccc1
InChIInChI=1S/2C16H21NO3.C15H27NO3.C14H17NO3.C14H25NO3.C13H15NO3/c1-12-6-2-3-7-13(12)8-4-5-11-20-16(19)17-14-9-10-15(14)18;1-2-3-4-12-5-7-13(8-6-12)11-20-16(19)17-14-9-10-15(14)18;1-2-3-4-5-6-7-8-9-12-19-15(18)16-13-10-11-14(13)17;16-13-9-8-12(13)15-14(17)18-10-4-7-11-5-2-1-3-6-11;1-2-3-4-5-6-7-8-11-18-14(17)15-12-9-10-13(12)16;15-12-7-6-11(12)14-13(16)17-9-8-10-4-2-1-3-5-10/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,17,19);5-8,14H,2-4,9-11H2,1H3,(H,17,19);13H,2-12H2,1H3,(H,16,18);1-3,5-6,12H,4,7-10H2,(H,15,17);12H,2-11H2,1H3,(H,15,17);1-5,11H,6-9H2,(H,14,16)/t2*14-;13-;2*12-;11-/m000000/s1
InChIKeyBMMOZNYSPWHWCB-DNUKMYKTSA-N
XLogP16.31
TPSA332.40 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds40
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001556.00
LogP ≤ 516.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate with MolForge

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Related Compounds

octyl N-[(1S)-2-oxocyclobutyl]carbamate
CID 147728041
(4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate
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decyl N-(4-phenylbutyl)carbamate
CID 101211373
1-O-hexadecyl 2-O-(2-phenylethyl) oxalate
CID 6421916
heptyl 7-phenylheptyl carbonate
CID 67251382
1-O-dodecyl 2-O-(2-phenylethyl) oxalate
CID 6421914
N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide
CID 158433949
1-O-octyl 4-O-(3-phenylpropyl) (E)-but-2-enedioate
CID 91710158
octyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 91699627
pentadecyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 91699643
(4-pentylphenyl) 5-phenylpentyl carbonate
CID 118690324
butyl N-(5-phenylpentyl)carbamate
CID 69404409

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate?
The IUPAC name of (4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate (CID 157395277) is (4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate.
What is the SMILES notation for (4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate?
The canonical SMILES for (4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate is CCCCCCCCCCOC(=O)N[C@H]1CCC1=O.CCCCCCCCCOC(=O)N[C@H]1CCC1=O.CCCCc1ccc(COC(=O)N[C@H]2CCC2=O)cc1.Cc1ccccc1CCCCOC(=O)N[C@H]1CCC1=O.O=C(N[C@H]1CCC1=O)OCCCc1ccccc1.O=C(N[C@H]1CCC1=O)OCCc1ccccc1.
What is the InChIKey of (4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate?
The InChIKey is BMMOZNYSPWHWCB-DNUKMYKTSA-N. The full InChI is InChI=1S/2C16H21NO3.C15H27NO3.C14H17NO3.C14H25NO3.C13H15NO3/c1-12-6-2-3-7-13(12)8-4-5-11-20-16(19)17-14-9-10-15(14)18;1-2-3-4-12-5-7-13(8-6-12)11-20-16(19)17-14-9-10-15(14)18;1-2-3-4-5-6-7-8-9-12-19-15(18)16-13-10-11-14(13)17;16-13-9-8-12(13)15-14(17)18-10-4-7-11-5-2-1-3-6-11;1-2-3-4-5-6-7-8-11-18-14(17)15-12-9-10-13(12)16;15-12-7-6-11(12)14-13(16)17-9-8-10-4-2-1-3-5-10/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,17,19);5-8,14H,2-4,9-11H2,1H3,(H,17,19);13H,2-12H2,1H3,(H,16,18);1-3,5-6,12H,4,7-10H2,(H,15,17);12H,2-11H2,1H3,(H,15,17);1-5,11H,6-9H2,(H,14,16)/t2*14-;13-;2*12-;11-/m000000/s1.
What are the key properties of (4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate?
(4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate has a molecular weight of 1556.00 g/mol, XLogP of 16.31, 40 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate is sourced from PubChem (CID 157395277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).