2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate

C15H22N2O3 — CID 142588377

IUPAC2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)OCC(C)C
InChIInChI=1S/C15H22N2O3/c1-11(2)10-20-15(19)17-13(14(18)16-3)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyCGOKMLRRIMQKBQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.73
Rot. Bonds6

About 2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate

2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 142588377) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID142588377
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)OCC(C)C
InChIInChI=1S/C15H22N2O3/c1-11(2)10-20-15(19)17-13(14(18)16-3)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyCGOKMLRRIMQKBQ-UHFFFAOYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

butyl (2S)-2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate
CID 20836709
benzyl N-[3-(4-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 141026809
(2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid
CID 58474049
9H-fluoren-9-ylmethyl N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 58868035
2-amino-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 21262270
(2S)-2-amino-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 18394511
(2R)-2-amino-3-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11003677
decyl 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate
CID 6420858
octyl (2S)-2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate
CID 20836705
hexyl 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate
CID 6420854
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
CID 11142613
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 11059230

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate (CID 142588377) is 2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate is CNC(=O)C(Cc1ccccc1)NC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is CGOKMLRRIMQKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)10-20-15(19)17-13(14(18)16-3)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 142588377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).