N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide

C21H27N3O3 — CID 17430525

IUPACN-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
SMILESCOc1cccc(NC(=O)CN(C)C(C)C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C21H27N3O3/c1-16(21(26)24(3)14-17-9-6-5-7-10-17)23(2)15-20(25)22-18-11-8-12-19(13-18)27-4/h5-13,16H,14-15H2,1-4H3,(H,22,25)
InChIKeyPVHWDZODFJFFOI-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.61
Rot. Bonds8

About N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide

N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide (PubChem CID 17430525) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
PubChem CID17430525
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
SMILESCOc1cccc(NC(=O)CN(C)C(C)C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C21H27N3O3/c1-16(21(26)24(3)14-17-9-6-5-7-10-17)23(2)15-20(25)22-18-11-8-12-19(13-18)27-4/h5-13,16H,14-15H2,1-4H3,(H,22,25)
InChIKeyPVHWDZODFJFFOI-UHFFFAOYSA-N
XLogP2.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 46561832
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
CID 8555923
N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108946133
2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 55639256
2-[[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555084
2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113161287
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9198346
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
CID 8556267
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 8556272
N-(3-methoxyphenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4880688
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1S)-1-phenylbutyl]propanamide
CID 8556646

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
The IUPAC name of N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide (CID 17430525) is N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide is COc1cccc(NC(=O)CN(C)C(C)C(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
The InChIKey is PVHWDZODFJFFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16(21(26)24(3)14-17-9-6-5-7-10-17)23(2)15-20(25)22-18-11-8-12-19(13-18)27-4/h5-13,16H,14-15H2,1-4H3,(H,22,25).
What are the key properties of N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide has a molecular weight of 369.47 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 17430525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).