2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide

C22H23N3O2 — CID 86924157

IUPAC2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide
SMILESCNC(=O)Cc1ccc(NC(C)C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23N3O2/c1-15(24-19-10-7-16(8-11-19)13-21(26)23-2)22(27)25-20-12-9-17-5-3-4-6-18(17)14-20/h3-12,14-15,24H,13H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyLPKWLLVSELSPHQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.57
Rot. Bonds6

About 2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide

2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide (PubChem CID 86924157) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide
PubChem CID86924157
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide
SMILESCNC(=O)Cc1ccc(NC(C)C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23N3O2/c1-15(24-19-10-7-16(8-11-19)13-21(26)23-2)22(27)25-20-12-9-17-5-3-4-6-18(17)14-20/h3-12,14-15,24H,13H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyLPKWLLVSELSPHQ-UHFFFAOYSA-N
XLogP3.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 78666889
2-(benzylamino)-N-naphthalen-2-ylpropanamide
CID 4870007
2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide
CID 78708039
(2R)-2-(naphthalen-2-ylamino)-N-(4-sulfamoylphenyl)propanamide
CID 7775072
2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 3283629
(2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide
CID 9345649
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
CID 43420253
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(naphthalen-2-ylamino)propanamide
CID 2438566
2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide
CID 4274264
N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide?
The IUPAC name of 2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide (CID 86924157) is 2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide is CNC(=O)Cc1ccc(NC(C)C(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide?
The InChIKey is LPKWLLVSELSPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(24-19-10-7-16(8-11-19)13-21(26)23-2)22(27)25-20-12-9-17-5-3-4-6-18(17)14-20/h3-12,14-15,24H,13H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of 2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide?
2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide has a molecular weight of 361.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 86924157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).