2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide

C15H23N3O2 — CID 43224047

IUPAC2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-4-9-16-15(20)11(2)17-10-13-5-7-14(8-6-13)18-12(3)19/h5-8,11,17H,4,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyRBUMMXXDWVAFIK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.65
Rot. Bonds7

About 2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide

2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide (PubChem CID 43224047) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide
PubChem CID43224047
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-4-9-16-15(20)11(2)17-10-13-5-7-14(8-6-13)18-12(3)19/h5-8,11,17H,4,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyRBUMMXXDWVAFIK-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

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Related Compounds

2-[(4-iodophenyl)methylamino]-N-propylpropanamide
CID 65477779
2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide
CID 61068547
(2R)-N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]propanamide
CID 9322127
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818
N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide
CID 43399864
2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397673
2-[(3-bromo-4-fluorophenyl)methylamino]-N-propylpropanamide
CID 43221804
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63050518
N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 42936966
N-butyl-2-[(4-cyanophenyl)methylamino]propanamide
CID 54936803
2-(benzylamino)-N-phenylpropanamide
CID 4877973

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide (CID 43224047) is 2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide?
The InChIKey is RBUMMXXDWVAFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-9-16-15(20)11(2)17-10-13-5-7-14(8-6-13)18-12(3)19/h5-8,11,17H,4,9-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide?
2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide 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 2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 43224047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).