(4-propanoylphenyl) N-methyl-N-phenylcarbamate

C17H17NO3 — CID 969672

IUPAC(4-propanoylphenyl) N-methyl-N-phenylcarbamate
SMILESCCC(=O)c1ccc(OC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-3-16(19)13-9-11-15(12-10-13)21-17(20)18(2)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyIZFVTUHJHLCNDI-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.91
Rot. Bonds4

About (4-propanoylphenyl) N-methyl-N-phenylcarbamate

(4-propanoylphenyl) N-methyl-N-phenylcarbamate (PubChem CID 969672) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (4-propanoylphenyl) N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name(4-propanoylphenyl) N-methyl-N-phenylcarbamate
PubChem CID969672
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(4-propanoylphenyl) N-methyl-N-phenylcarbamate
SMILESCCC(=O)c1ccc(OC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-3-16(19)13-9-11-15(12-10-13)21-17(20)18(2)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyIZFVTUHJHLCNDI-UHFFFAOYSA-N
XLogP3.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Dimethylamino-3',4'-dimethoxychalcone
CID 6156423
4-Methoxy-N-phenylbenzohydroxamic acid
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3-(4-Fluoroanilino)-1-(4-methoxyphenyl)-1-propanone
CID 930491
3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
CID 710667
1-(4-Ethoxybenzoyl)-4-phenylpiperazine
CID 710515
N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
CID 22431219
1-(4-Ethoxybenzoyl)indoline
CID 669395
4-methoxy-N-phenylbenzamide
CID 346037
phenyl N-(4-acetylphenyl)carbamate
CID 806009
N-Methyl-P-anisanilide
CID 292687
N-(2-ethylphenyl)-4-methoxybenzamide
CID 710654
N-(3-acetylphenyl)-4-methoxybenzamide
CID 773486

Frequently Asked Questions

What is the IUPAC name of (4-propanoylphenyl) N-methyl-N-phenylcarbamate?
The IUPAC name of (4-propanoylphenyl) N-methyl-N-phenylcarbamate (CID 969672) is (4-propanoylphenyl) N-methyl-N-phenylcarbamate.
What is the SMILES notation for (4-propanoylphenyl) N-methyl-N-phenylcarbamate?
The canonical SMILES for (4-propanoylphenyl) N-methyl-N-phenylcarbamate is CCC(=O)c1ccc(OC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of (4-propanoylphenyl) N-methyl-N-phenylcarbamate?
The InChIKey is IZFVTUHJHLCNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-16(19)13-9-11-15(12-10-13)21-17(20)18(2)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3.
What are the key properties of (4-propanoylphenyl) N-methyl-N-phenylcarbamate?
(4-propanoylphenyl) N-methyl-N-phenylcarbamate has a molecular weight of 283.33 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propanoylphenyl) N-methyl-N-phenylcarbamate is sourced from PubChem (CID 969672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).