2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide

C20H25N3O3 — CID 55639256

IUPAC2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)C(C)N(C)CC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H25N3O3/c1-15(20(25)21-13-16-8-7-11-18(12-16)26-3)23(2)14-19(24)22-17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyKRVIDSMUFNCYSW-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.27
Rot. Bonds8

About 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide

2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 55639256) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID55639256
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)C(C)N(C)CC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H25N3O3/c1-15(20(25)21-13-16-8-7-11-18(12-16)26-3)23(2)14-19(24)22-17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyKRVIDSMUFNCYSW-UHFFFAOYSA-N
XLogP2.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 17430525
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 8555354
2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 86979728
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
CID 8555923
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9198346
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1S)-1-phenylbutyl]propanamide
CID 8556646
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370235
N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 51167337

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide (CID 55639256) is 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)C(C)N(C)CC(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is KRVIDSMUFNCYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15(20(25)21-13-16-8-7-11-18(12-16)26-3)23(2)14-19(24)22-17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide?
2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 55639256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).