phenacyl N-benzyl-N-methylcarbamate

C17H17NO3 — CID 138963636

IUPACphenacyl N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-18(12-14-8-4-2-5-9-14)17(20)21-13-16(19)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyITWHABGILPDDBL-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.14
Rot. Bonds5

About phenacyl N-benzyl-N-methylcarbamate

phenacyl N-benzyl-N-methylcarbamate (PubChem CID 138963636) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is phenacyl N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Namephenacyl N-benzyl-N-methylcarbamate
PubChem CID138963636
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namephenacyl N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-18(12-14-8-4-2-5-9-14)17(20)21-13-16(19)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyITWHABGILPDDBL-UHFFFAOYSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[Benzyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
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2-Oxo-2-phenylethyl n-benzoylglycinate
CID 274189
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 3453974
(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
2-keto-3-(N-benzoylamino)-3-phenyl propionic acid ethyl ester
CID 11809094
(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 phenacyl N-benzyl-N-methylcarbamate?
The IUPAC name of phenacyl N-benzyl-N-methylcarbamate (CID 138963636) is phenacyl N-benzyl-N-methylcarbamate.
What is the SMILES notation for phenacyl N-benzyl-N-methylcarbamate?
The canonical SMILES for phenacyl N-benzyl-N-methylcarbamate is CN(Cc1ccccc1)C(=O)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl N-benzyl-N-methylcarbamate?
The InChIKey is ITWHABGILPDDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18(12-14-8-4-2-5-9-14)17(20)21-13-16(19)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3.
What are the key properties of phenacyl N-benzyl-N-methylcarbamate?
phenacyl N-benzyl-N-methylcarbamate has a molecular weight of 283.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl N-benzyl-N-methylcarbamate is sourced from PubChem (CID 138963636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).