N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide

C26H29N3O3 — CID 166334131

IUPACN-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide
SMILESCCCCNC(=O)C(c1ccccn1)N(Cc1ccccc1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H29N3O3/c1-3-4-17-28-25(30)24(23-12-8-9-18-27-23)29(19-20-10-6-5-7-11-20)26(31)21-13-15-22(32-2)16-14-21/h5-16,18,24H,3-4,17,19H2,1-2H3,(H,28,30)
InChIKeyJJMCLVYBIOYWIW-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.39
Rot. Bonds10

About N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide

N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide (PubChem CID 166334131) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide
PubChem CID166334131
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide
SMILESCCCCNC(=O)C(c1ccccn1)N(Cc1ccccc1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H29N3O3/c1-3-4-17-28-25(30)24(23-12-8-9-18-27-23)29(19-20-10-6-5-7-11-20)26(31)21-13-15-22(32-2)16-14-21/h5-16,18,24H,3-4,17,19H2,1-2H3,(H,28,30)
InChIKeyJJMCLVYBIOYWIW-UHFFFAOYSA-N
XLogP4.39
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775
N-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide
CID 166334118
(2R)-2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100579080
N-benzyl-N-[(2R)-1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 100583526
2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133238795
2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide
CID 133240945
2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide
CID 133213644
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 133213563
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide
CID 133236729
N-butyl-2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132710933
N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide
CID 133238726
N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 60530727

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide?
The IUPAC name of N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide (CID 166334131) is N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide.
What is the SMILES notation for N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide?
The canonical SMILES for N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide is CCCCNC(=O)C(c1ccccn1)N(Cc1ccccc1)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide?
The InChIKey is JJMCLVYBIOYWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-4-17-28-25(30)24(23-12-8-9-18-27-23)29(19-20-10-6-5-7-11-20)26(31)21-13-15-22(32-2)16-14-21/h5-16,18,24H,3-4,17,19H2,1-2H3,(H,28,30).
What are the key properties of N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide?
N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide has a molecular weight of 431.54 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide is sourced from PubChem (CID 166334131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).