N-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane

C30H37N3O4 — CID 176686663

IUPACN-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane
SMILESCC.COc1ccc(CCC(=O)N(C2CC2)C(C(=O)NCc2ccccc2)c2cccc(OC)n2)cc1
InChIInChI=1S/C28H31N3O4.C2H6/c1-34-23-16-11-20(12-17-23)13-18-26(32)31(22-14-15-22)27(24-9-6-10-25(30-24)35-2)28(33)29-19-21-7-4-3-5-8-21;1-2/h3-12,16-17,22,27H,13-15,18-19H2,1-2H3,(H,29,33);1-2H3
InChIKeyBYXCFTBLTLHSDT-UHFFFAOYSA-N
MW503.64 g/mol
LogP5.11
Rot. Bonds11

About N-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane

N-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane (PubChem CID 176686663) has the molecular formula C30H37N3O4 and a molecular weight of 503.64 g/mol. Its IUPAC name is N-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane.

Molecular Properties

Compound NameN-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane
PubChem CID176686663
Molecular FormulaC30H37N3O4
Molecular Weight503.64 g/mol
Exact Mass503.28
IUPAC NameN-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane
SMILESCC.COc1ccc(CCC(=O)N(C2CC2)C(C(=O)NCc2ccccc2)c2cccc(OC)n2)cc1
InChIInChI=1S/C28H31N3O4.C2H6/c1-34-23-16-11-20(12-17-23)13-18-26(32)31(22-14-15-22)27(24-9-6-10-25(30-24)35-2)28(33)29-19-21-7-4-3-5-8-21;1-2/h3-12,16-17,22,27H,13-15,18-19H2,1-2H3,(H,29,33);1-2H3
InChIKeyBYXCFTBLTLHSDT-UHFFFAOYSA-N
XLogP5.11
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.64
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(benzylamino)-1-[cyclopropyl-[3-(4-methoxyphenyl)propanoyl]amino]-2-oxoethyl]phenyl] N,N-dimethylcarbamate
CID 176687317
N-[2-(benzylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide
CID 176686457
N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 176686326
N-[2-(benzylamino)-2-oxo-1-(6-oxopiperidin-3-yl)ethyl]-N-(3,3-difluorocyclobutyl)-3-(4-methoxyphenyl)propanamide
CID 176686448
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133214141
(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-cyclopentyl-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132984664
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632
3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide
CID 176687306
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide
CID 133238619
N-[2-[(2-chlorophenyl)methylamino]-2-oxo-1-phenylethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 133238601
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
CID 133238879

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane?
The IUPAC name of N-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane (CID 176686663) is N-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane.
What is the SMILES notation for N-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane?
The canonical SMILES for N-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane is CC.COc1ccc(CCC(=O)N(C2CC2)C(C(=O)NCc2ccccc2)c2cccc(OC)n2)cc1.
What is the InChIKey of N-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane?
The InChIKey is BYXCFTBLTLHSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4.C2H6/c1-34-23-16-11-20(12-17-23)13-18-26(32)31(22-14-15-22)27(24-9-6-10-25(30-24)35-2)28(33)29-19-21-7-4-3-5-8-21;1-2/h3-12,16-17,22,27H,13-15,18-19H2,1-2H3,(H,29,33);1-2H3.
What are the key properties of N-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane?
N-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane has a molecular weight of 503.64 g/mol, XLogP of 5.11, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane is sourced from PubChem (CID 176686663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).