N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide

C25H34N2O3 — CID 163134565

IUPACN-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide
SMILESCCCCC(=O)N(CCCC)C(C(=O)NCc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C25H34N2O3/c1-4-6-13-23(28)27(18-7-5-2)24(21-14-16-22(30-3)17-15-21)25(29)26-19-20-11-9-8-10-12-20/h8-12,14-17,24H,4-7,13,18-19H2,1-3H3,(H,26,29)
InChIKeyHLIHLMZQNAZFBR-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.87
Rot. Bonds12

About N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide

N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide (PubChem CID 163134565) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide
PubChem CID163134565
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide
SMILESCCCCC(=O)N(CCCC)C(C(=O)NCc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C25H34N2O3/c1-4-6-13-23(28)27(18-7-5-2)24(21-14-16-22(30-3)17-15-21)25(29)26-19-20-11-9-8-10-12-20/h8-12,14-17,24H,4-7,13,18-19H2,1-3H3,(H,26,29)
InChIKeyHLIHLMZQNAZFBR-UHFFFAOYSA-N
XLogP4.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 176686326
N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide
CID 133238726
N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
CID 133238879
tert-butyl N-[2-[[2-(benzylamino)-2-oxo-1-phenylethyl]-hexylamino]-2-oxoethyl]carbamate
CID 18019649
N-[(4-methoxyphenyl)methyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]butanamide
CID 133238737
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-1-phenylethyl]-N-[(4-methoxyphenyl)methyl]butanamide
CID 133238734
(3S)-N-[(1S)-1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 98097307
N-benzyl-2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133238630
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133214141
(3S)-N-benzyl-N-[(1R)-1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1150932

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide?
The IUPAC name of N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide (CID 163134565) is N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide.
What is the SMILES notation for N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide?
The canonical SMILES for N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide is CCCCC(=O)N(CCCC)C(C(=O)NCc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide?
The InChIKey is HLIHLMZQNAZFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-4-6-13-23(28)27(18-7-5-2)24(21-14-16-22(30-3)17-15-21)25(29)26-19-20-11-9-8-10-12-20/h8-12,14-17,24H,4-7,13,18-19H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide?
N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide has a molecular weight of 410.56 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide is sourced from PubChem (CID 163134565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).