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

C21H22N2O — CID 3283629

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

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

2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide (PubChem CID 3283629) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
PubChem CID3283629
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
SMILESCc1ccc(NC(C)C(=O)Nc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C21H22N2O/c1-14-8-11-20(15(2)12-14)22-16(3)21(24)23-19-10-9-17-6-4-5-7-18(17)13-19/h4-13,16,22H,1-3H3,(H,23,24)
InChIKeyVPFSFNIFMSHJAK-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-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 78666889
2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide
CID 78708039
(2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
CID 999697
2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide
CID 51286469
(2R)-N-(2-acetylphenyl)-2-(2,4-dimethylanilino)propanamide
CID 35906873
2-(2,4-dimethylanilino)propanehydrazide
CID 23861884
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367
2-(4-bromo-2-methylanilino)-N-phenylpropanamide
CID 43084058
(2R)-2-(4-methylphenoxy)-N-naphthalen-2-ylpropanamide
CID 837371
2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide
CID 86924157
(2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide
CID 7986637
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide (CID 3283629) is 2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide is Cc1ccc(NC(C)C(=O)Nc2ccc3ccccc3c2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide?
The InChIKey is VPFSFNIFMSHJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-14-8-11-20(15(2)12-14)22-16(3)21(24)23-19-10-9-17-6-4-5-7-18(17)13-19/h4-13,16,22H,1-3H3,(H,23,24).
What are the key properties of 2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide?
2-(2,4-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-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 3283629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).