N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide

C29H34N2O4 — CID 176686326

IUPACN-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCN(C(=O)CCc1ccc(OC)cc1)C(C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C29H34N2O4/c1-34-21-9-20-31(27(32)19-16-23-14-17-26(35-2)18-15-23)28(25-12-7-4-8-13-25)29(33)30-22-24-10-5-3-6-11-24/h3-8,10-15,17-18,28H,9,16,19-22H2,1-2H3,(H,30,33)
InChIKeyPLOYLQZRFNPEFN-UHFFFAOYSA-N
MW474.60 g/mol
LogP4.55
Rot. Bonds13

About N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide

N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide (PubChem CID 176686326) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
PubChem CID176686326
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC NameN-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCN(C(=O)CCc1ccc(OC)cc1)C(C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C29H34N2O4/c1-34-21-9-20-31(27(32)19-16-23-14-17-26(35-2)18-15-23)28(25-12-7-4-8-13-25)29(33)30-22-24-10-5-3-6-11-24/h3-8,10-15,17-18,28H,9,16,19-22H2,1-2H3,(H,30,33)
InChIKeyPLOYLQZRFNPEFN-UHFFFAOYSA-N
XLogP4.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.55
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-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide
CID 163134565
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133214141
N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide
CID 133238726
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
CID 133238879
N-[2-[[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-[2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25316189
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238791
[4-[2-(benzylamino)-1-[cyclopropyl-[3-(4-methoxyphenyl)propanoyl]amino]-2-oxoethyl]phenyl] N,N-dimethylcarbamate
CID 176687317
2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 133237038
N-benzyl-2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133238630
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632
(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-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide (CID 176686326) is N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide is COCCCN(C(=O)CCc1ccc(OC)cc1)C(C(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide?
The InChIKey is PLOYLQZRFNPEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-34-21-9-20-31(27(32)19-16-23-14-17-26(35-2)18-15-23)28(25-12-7-4-8-13-25)29(33)30-22-24-10-5-3-6-11-24/h3-8,10-15,17-18,28H,9,16,19-22H2,1-2H3,(H,30,33).
What are the key properties of N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide?
N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide has a molecular weight of 474.60 g/mol, XLogP of 4.55, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 176686326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).