2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide

C21H22N2O — CID 78666889

IUPAC2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
SMILESCc1ccc(NC(C)C(=O)Nc2ccc3ccccc3c2)cc1C
InChIInChI=1S/C21H22N2O/c1-14-8-10-19(12-15(14)2)22-16(3)21(24)23-20-11-9-17-6-4-5-7-18(17)13-20/h4-13,16,22H,1-3H3,(H,23,24)
InChIKeyQGGBXEVONGSGGS-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.90
Rot. Bonds4

About 2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide

2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide (PubChem CID 78666889) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
PubChem CID78666889
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
SMILESCc1ccc(NC(C)C(=O)Nc2ccc3ccccc3c2)cc1C
InChIInChI=1S/C21H22N2O/c1-14-8-10-19(12-15(14)2)22-16(3)21(24)23-20-11-9-17-6-4-5-7-18(17)13-20/h4-13,16,22H,1-3H3,(H,23,24)
InChIKeyQGGBXEVONGSGGS-UHFFFAOYSA-N
XLogP4.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide
CID 78708039
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 3283629
2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide
CID 86924157
(2R)-2-(naphthalen-2-ylamino)-N-(4-sulfamoylphenyl)propanamide
CID 7775072
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
(2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide
CID 9345649
2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide
CID 51167745
N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
CID 43420253
N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178
2-(naphthalen-2-ylamino)-N-pentylpropanamide
CID 43420250
2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42911852

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide (CID 78666889) is 2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide is Cc1ccc(NC(C)C(=O)Nc2ccc3ccccc3c2)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide?
The InChIKey is QGGBXEVONGSGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-14-8-10-19(12-15(14)2)22-16(3)21(24)23-20-11-9-17-6-4-5-7-18(17)13-20/h4-13,16,22H,1-3H3,(H,23,24).
What are the key properties of 2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide?
2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 78666889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).