2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide

C19H23N3O3 — CID 86979725

IUPAC2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N(C)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H23N3O3/c1-14(19(24)21-16-9-11-17(25-3)12-10-16)22(2)13-18(23)20-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyHAXSOAYWGYODBZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.59
Rot. Bonds7

About 2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide

2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide (PubChem CID 86979725) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
PubChem CID86979725
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N(C)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H23N3O3/c1-14(19(24)21-16-9-11-17(25-3)12-10-16)22(2)13-18(23)20-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyHAXSOAYWGYODBZ-UHFFFAOYSA-N
XLogP2.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 7993669
N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 17438079
2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide
CID 111122600
3-[[1-(4-methoxyanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119911900
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370235
2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 55639256
(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658568
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658720
(2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 2572986
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 111750353
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide
CID 9027057

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide (CID 86979725) is 2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)N(C)CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide?
The InChIKey is HAXSOAYWGYODBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(19(24)21-16-9-11-17(25-3)12-10-16)22(2)13-18(23)20-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide?
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide has a molecular weight of 341.41 g/mol, XLogP of 2.59, 7 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-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 86979725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).