2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate

C18H29NO2 — CID 66715109

IUPAC2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate
SMILESCC(C)Cc1cc(CC(C)C)cc(C(C)(C)OC(N)=O)c1
InChIInChI=1S/C18H29NO2/c1-12(2)7-14-9-15(8-13(3)4)11-16(10-14)18(5,6)21-17(19)20/h9-13H,7-8H2,1-6H3,(H2,19,20)
InChIKeyJWEHUCXYUKTFAD-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.41
Rot. Bonds6

About 2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate

2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate (PubChem CID 66715109) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate.

Molecular Properties

Compound Name2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate
PubChem CID66715109
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate
SMILESCC(C)Cc1cc(CC(C)C)cc(C(C)(C)OC(N)=O)c1
InChIInChI=1S/C18H29NO2/c1-12(2)7-14-9-15(8-13(3)4)11-16(10-14)18(5,6)21-17(19)20/h9-13H,7-8H2,1-6H3,(H2,19,20)
InChIKeyJWEHUCXYUKTFAD-UHFFFAOYSA-N
XLogP4.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dibutylphenyl)propan-2-yl carbamate
CID 66600004
2-phenylpropan-2-yl carbamate;propane
CID 175117543
[2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate
CID 10264130
methyl 3-hydroxy-3-[4-(2-methylpropyl)phenyl]-2-propan-2-ylbutanoate
CID 62395639
3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide
CID 65236691
(2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine
CID 90210507
tert-butyl carbamate;2,4-dimethylpentane
CID 177025582
3-[[3-(2-acetyl-3-oxobutyl)-5-tert-butylphenyl]methyl]pentane-2,4-dione
CID 67461255
2-[4-(2-methylpropyl)anilino]acetamide
CID 96671110
methyl 4-amino-3-methyl-3-[4-(2-methylpropyl)phenyl]pentanoate
CID 66098334
(2-carbamoyloxy-3-methylbutan-2-yl) carbamate
CID 54113594
2,3-dimethylbutan-2-yl carbamate
CID 20975410

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate?
The IUPAC name of 2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate (CID 66715109) is 2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate.
What is the SMILES notation for 2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate?
The canonical SMILES for 2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate is CC(C)Cc1cc(CC(C)C)cc(C(C)(C)OC(N)=O)c1.
What is the InChIKey of 2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate?
The InChIKey is JWEHUCXYUKTFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12(2)7-14-9-15(8-13(3)4)11-16(10-14)18(5,6)21-17(19)20/h9-13H,7-8H2,1-6H3,(H2,19,20).
What are the key properties of 2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate?
2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate has a molecular weight of 291.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate is sourced from PubChem (CID 66715109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).