N-[(4-acetylphenyl)methyl]propanamide

C12H15NO2 — CID 20825268

IUPACN-[(4-acetylphenyl)methyl]propanamide
SMILESCCC(=O)NCc1ccc(C(C)=O)cc1
InChIInChI=1S/C12H15NO2/c1-3-12(15)13-8-10-4-6-11(7-5-10)9(2)14/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKeyIETOKGQXCPZJPW-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.92
Rot. Bonds4

About N-[(4-acetylphenyl)methyl]propanamide

N-[(4-acetylphenyl)methyl]propanamide (PubChem CID 20825268) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(4-acetylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(4-acetylphenyl)methyl]propanamide
PubChem CID20825268
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[(4-acetylphenyl)methyl]propanamide
SMILESCCC(=O)NCc1ccc(C(C)=O)cc1
InChIInChI=1S/C12H15NO2/c1-3-12(15)13-8-10-4-6-11(7-5-10)9(2)14/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKeyIETOKGQXCPZJPW-UHFFFAOYSA-N
XLogP1.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide
CID 167869260
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
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N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide
CID 39162903
N-[[4-(ethylamino)phenyl]methyl]propanamide
CID 59197954
N-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methyl]propanamide
CID 129312840
methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate
CID 163207822
[4-[(propanoylamino)methyl]phenyl] carbamate
CID 175552226
N-(quinoxalin-6-ylmethyl)propanamide
CID 110672190
4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2677349
N'-(4-acetylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947858
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propanamide
CID 153384065

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylphenyl)methyl]propanamide?
The IUPAC name of N-[(4-acetylphenyl)methyl]propanamide (CID 20825268) is N-[(4-acetylphenyl)methyl]propanamide.
What is the SMILES notation for N-[(4-acetylphenyl)methyl]propanamide?
The canonical SMILES for N-[(4-acetylphenyl)methyl]propanamide is CCC(=O)NCc1ccc(C(C)=O)cc1.
What is the InChIKey of N-[(4-acetylphenyl)methyl]propanamide?
The InChIKey is IETOKGQXCPZJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-12(15)13-8-10-4-6-11(7-5-10)9(2)14/h4-7H,3,8H2,1-2H3,(H,13,15).
What are the key properties of N-[(4-acetylphenyl)methyl]propanamide?
N-[(4-acetylphenyl)methyl]propanamide has a molecular weight of 205.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylphenyl)methyl]propanamide is sourced from PubChem (CID 20825268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).