benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate

C18H28N2O4 — CID 15286885

IUPACbenzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C18H28N2O4/c1-18(2,3)24-17(22)20-13-9-5-8-12-19-16(21)23-14-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyZGJYLWJFVZLIAJ-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.61
Rot. Bonds8

About benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate

benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate (PubChem CID 15286885) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
PubChem CID15286885
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Namebenzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C18H28N2O4/c1-18(2,3)24-17(22)20-13-9-5-8-12-19-16(21)23-14-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyZGJYLWJFVZLIAJ-UHFFFAOYSA-N
XLogP3.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
tert-butyl 5-(phenylmethoxycarbonylamino)pentanoate
CID 10638439
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylcarbamothioyl]carbamate
CID 11234845
benzyl N-[3-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propyl]carbamate
CID 171775368
ditert-butyl 2-amino-2-[4-(phenylmethoxycarbonylamino)butyl]propanedioate
CID 175793762
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
methyl (2R)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-6-(phenylmethoxycarbonylamino)hexanoate
CID 18396930
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate
CID 11132998
tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate
CID 59535553
tert-butyl (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoate
CID 165151783
benzyl 2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 70245619

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate?
The IUPAC name of benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate (CID 15286885) is benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate.
What is the SMILES notation for benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate?
The canonical SMILES for benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate is CC(C)(C)OC(=O)NCCCCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate?
The InChIKey is ZGJYLWJFVZLIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-18(2,3)24-17(22)20-13-9-5-8-12-19-16(21)23-14-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate?
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate has a molecular weight of 336.43 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate is sourced from PubChem (CID 15286885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).