3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide

C15H23N3O2 — CID 115581419

IUPAC3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(=O)Nc1ccc(CNCCC(=O)NC(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-11(2)17-15(20)8-9-16-10-13-4-6-14(7-5-13)18-12(3)19/h4-7,11,16H,8-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyOGETYDORHUVECE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.65
Rot. Bonds7

About 3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide

3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 115581419) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID115581419
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(=O)Nc1ccc(CNCCC(=O)NC(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-11(2)17-15(20)8-9-16-10-13-4-6-14(7-5-13)18-12(3)19/h4-7,11,16H,8-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyOGETYDORHUVECE-UHFFFAOYSA-N
XLogP1.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-3-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103438048
3-[(4-acetamidophenyl)methylamino]propanamide
CID 43553315
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301966
3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 109019987
3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide
CID 115586548
5-[[[3-oxo-3-(propan-2-ylamino)propyl]amino]methyl]furan-2-carboxylic acid
CID 113409692
3-[(3-bromo-4-methoxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112684722
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581391
N-butan-2-yl-3-[(4-chlorophenyl)methylamino]propanamide
CID 54893832
N-[4-[(2-cyanopropylamino)methyl]phenyl]acetamide
CID 55101214
N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide
CID 111118557

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide (CID 115581419) is 3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide is CC(=O)Nc1ccc(CNCCC(=O)NC(C)C)cc1.
What is the InChIKey of 3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is OGETYDORHUVECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)17-15(20)8-9-16-10-13-4-6-14(7-5-13)18-12(3)19/h4-7,11,16H,8-10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide?
3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115581419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).