(1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate

C18H19NO3 — CID 164677335

IUPAC(1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate
SMILESCC(OC(=O)N(C)Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(17(20)16-11-7-4-8-12-16)22-18(21)19(2)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKeyYUVUWRNJNJTAAZ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.53
Rot. Bonds5

About (1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate

(1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate (PubChem CID 164677335) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate
PubChem CID164677335
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate
SMILESCC(OC(=O)N(C)Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(17(20)16-11-7-4-8-12-16)22-18(21)19(2)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKeyYUVUWRNJNJTAAZ-UHFFFAOYSA-N
XLogP3.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate 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

[2-[Benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2356128
Phenacyl 3-benzamidopropanoate
CID 2556661
2-Oxo-2-phenylethyl n-benzoylglycinate
CID 274189
(5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
CID 11758792
[1-oxo-1-[4-(trifluoromethyl)phenyl]propan-2-yl] N,N-dibutylcarbamate
CID 164679587
(4R,5S)-5-benzoyl-4-phenyl-1,3-oxazolidin-2-one
CID 21790831
trans-5-Benzoyl-4-phenyloxazolidin-2-one
CID 13220251
(4-Benzoylmorpholin-2-yl)-phenylmethanone
CID 54756596
(1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate
CID 58710946
tert-butyl(2R)-2-benzoylmorpholine-4-carboxylate
CID 68598384
4-Benzyl-2-(4-methylbenzoyl)morpholin-3-one
CID 102224305
2-Benzoyl-4-benzylmorpholin-3-one
CID 102224308

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate (CID 164677335) is (1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate is CC(OC(=O)N(C)Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate?
The InChIKey is YUVUWRNJNJTAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(17(20)16-11-7-4-8-12-16)22-18(21)19(2)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate?
(1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate has a molecular weight of 297.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) N-benzyl-N-methylcarbamate is sourced from PubChem (CID 164677335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).