N'-(3-acetylphenyl)-N-benzylpropanediamide

C18H18N2O3 — CID 108945305

IUPACN'-(3-acetylphenyl)-N-benzylpropanediamide
SMILESCC(=O)c1cccc(NC(=O)CC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H18N2O3/c1-13(21)15-8-5-9-16(10-15)20-18(23)11-17(22)19-12-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyKWBBXVLFAYBCSB-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.53
Rot. Bonds6

About N'-(3-acetylphenyl)-N-benzylpropanediamide

N'-(3-acetylphenyl)-N-benzylpropanediamide (PubChem CID 108945305) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-benzylpropanediamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-benzylpropanediamide
PubChem CID108945305
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN'-(3-acetylphenyl)-N-benzylpropanediamide
SMILESCC(=O)c1cccc(NC(=O)CC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H18N2O3/c1-13(21)15-8-5-9-16(10-15)20-18(23)11-17(22)19-12-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyKWBBXVLFAYBCSB-UHFFFAOYSA-N
XLogP2.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[3-(benzylamino)-3-oxopropanoyl]amino]benzoate
CID 108945310
1-(3-acetylphenyl)-3-benzylthiourea
CID 839523
N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide
CID 108945142
N-benzyl-N'-(3,5-dimethylphenyl)propanediamide
CID 50949014
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943910
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
N-(3-acetylphenyl)-2-(4-phenylphenyl)acetamide
CID 972684
N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide
CID 43887216
N-(3-acetylphenyl)propanamide
CID 903063
4-(3-acetylanilino)-2-methylidene-4-oxobutanoic acid
CID 102132384
N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948719

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-benzylpropanediamide?
The IUPAC name of N'-(3-acetylphenyl)-N-benzylpropanediamide (CID 108945305) is N'-(3-acetylphenyl)-N-benzylpropanediamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-benzylpropanediamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-benzylpropanediamide is CC(=O)c1cccc(NC(=O)CC(=O)NCc2ccccc2)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-benzylpropanediamide?
The InChIKey is KWBBXVLFAYBCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13(21)15-8-5-9-16(10-15)20-18(23)11-17(22)19-12-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-(3-acetylphenyl)-N-benzylpropanediamide?
N'-(3-acetylphenyl)-N-benzylpropanediamide has a molecular weight of 310.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-benzylpropanediamide is sourced from PubChem (CID 108945305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).