2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

C24H25N3O2 — CID 133214013

IUPAC2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)N(Cc1ccccc1)C(Cc1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C24H25N3O2/c1-19(28)27(18-22-10-6-3-7-11-22)23(16-20-8-4-2-5-9-20)24(29)26-17-21-12-14-25-15-13-21/h2-15,23H,16-18H2,1H3,(H,26,29)
InChIKeyFIWWSBAESDUVCN-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.36
Rot. Bonds8

About 2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 133214013) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID133214013
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)N(Cc1ccccc1)C(Cc1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C24H25N3O2/c1-19(28)27(18-22-10-6-3-7-11-22)23(16-20-8-4-2-5-9-20)24(29)26-17-21-12-14-25-15-13-21/h2-15,23H,16-18H2,1H3,(H,26,29)
InChIKeyFIWWSBAESDUVCN-UHFFFAOYSA-N
XLogP3.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214149
(2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 86285465
2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133237321
(2R)-2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 125047305
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
N-benzyl-2-[benzyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-3-phenylpropanamide
CID 133213975
2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133237149
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 133214509
[(2S)-1-[methyl(propan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66988425
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 133215029
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133214684
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 133149475

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (CID 133214013) is 2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is CC(=O)N(Cc1ccccc1)C(Cc1ccccc1)C(=O)NCc1ccncc1.
What is the InChIKey of 2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is FIWWSBAESDUVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-19(28)27(18-22-10-6-3-7-11-22)23(16-20-8-4-2-5-9-20)24(29)26-17-21-12-14-25-15-13-21/h2-15,23H,16-18H2,1H3,(H,26,29).
What are the key properties of 2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 387.48 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 133214013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).