tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate

C16H25NO2 — CID 10491812

IUPACtert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
SMILESCC(C)C(Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO2/c1-12(2)14(11-13-9-7-6-8-10-13)17-15(18)19-16(3,4)5/h6-10,12,14H,11H2,1-5H3,(H,17,18)
InChIKeyYPXNDXGSWSJVEK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.78
Rot. Bonds4

About tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate

tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate (PubChem CID 10491812) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
PubChem CID10491812
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nametert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
SMILESCC(C)C(Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO2/c1-12(2)14(11-13-9-7-6-8-10-13)17-15(18)19-16(3,4)5/h6-10,12,14H,11H2,1-5H3,(H,17,18)
InChIKeyYPXNDXGSWSJVEK-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 170895505
tert-butyl N-[(2S)-3-hydroxy-4-methyl-1-phenylpent-4-en-2-yl]carbamate
CID 11150475
tert-butyl N-[(2S)-3-fluoro-1-phenylpent-4-en-2-yl]carbamate
CID 102278751
tert-butyl N-[(2S,3S)-3-hydroxy-4-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]sulfanyl-1-phenylbutan-2-yl]carbamate
CID 15454052
tert-butyl N-[(1S)-1-cyano-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 90203735
tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate
CID 86611436
tert-butyl N-[(2S,3R)-3-hydroxy-6-methyl-5-methylidene-1-phenylheptan-2-yl]carbamate
CID 10404599
tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate
CID 19365126
tert-butyl N-[(2R,3R,5R)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 15428321
tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate
CID 22399693
tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate
CID 96581873
tert-butyl N-[(2S)-3-(methylamino)-1-(4-phenylphenyl)butan-2-yl]carbamate
CID 67679684

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate (CID 10491812) is tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate is CC(C)C(Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate?
The InChIKey is YPXNDXGSWSJVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)14(11-13-9-7-6-8-10-13)17-15(18)19-16(3,4)5/h6-10,12,14H,11H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate?
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate has a molecular weight of 263.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate is sourced from PubChem (CID 10491812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).