N'-(4-methoxyphenyl)-N-phenylpropanediamide

C16H16N2O3 — CID 15154641

IUPACN'-(4-methoxyphenyl)-N-phenylpropanediamide
SMILESCOc1ccc(NC(=O)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c1-21-14-9-7-13(8-10-14)18-16(20)11-15(19)17-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyRSYHUBSZUDISOK-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.66
Rot. Bonds5

About N'-(4-methoxyphenyl)-N-phenylpropanediamide

N'-(4-methoxyphenyl)-N-phenylpropanediamide (PubChem CID 15154641) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N-phenylpropanediamide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N-phenylpropanediamide
PubChem CID15154641
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN'-(4-methoxyphenyl)-N-phenylpropanediamide
SMILESCOc1ccc(NC(=O)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c1-21-14-9-7-13(8-10-14)18-16(20)11-15(19)17-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyRSYHUBSZUDISOK-UHFFFAOYSA-N
XLogP2.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.66
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

2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644
N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide
CID 108948790
N'-(benzylideneamino)-N-(4-methoxyphenyl)propanediamide
CID 5156637
N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 101486990
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide
CID 10752233

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N-phenylpropanediamide?
The IUPAC name of N'-(4-methoxyphenyl)-N-phenylpropanediamide (CID 15154641) is N'-(4-methoxyphenyl)-N-phenylpropanediamide.
What is the SMILES notation for N'-(4-methoxyphenyl)-N-phenylpropanediamide?
The canonical SMILES for N'-(4-methoxyphenyl)-N-phenylpropanediamide is COc1ccc(NC(=O)CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N-phenylpropanediamide?
The InChIKey is RSYHUBSZUDISOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-14-9-7-13(8-10-14)18-16(20)11-15(19)17-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4-methoxyphenyl)-N-phenylpropanediamide?
N'-(4-methoxyphenyl)-N-phenylpropanediamide has a molecular weight of 284.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N-phenylpropanediamide is sourced from PubChem (CID 15154641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).