3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide

C21H27N3O2 — CID 119684102

IUPAC3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)C(C)C(N)c2ccccc2)c1C
InChIInChI=1S/C21H27N3O2/c1-14-9-8-12-18(15(14)2)23-19(25)13-24(4)21(26)16(3)20(22)17-10-6-5-7-11-17/h5-12,16,20H,13,22H2,1-4H3,(H,23,25)
InChIKeyOPBUNWDGQRJONG-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.04
Rot. Bonds6

About 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide

3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide (PubChem CID 119684102) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
PubChem CID119684102
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)C(C)C(N)c2ccccc2)c1C
InChIInChI=1S/C21H27N3O2/c1-14-9-8-12-18(15(14)2)23-19(25)13-24(4)21(26)16(3)20(22)17-10-6-5-7-11-17/h5-12,16,20H,13,22H2,1-4H3,(H,23,25)
InChIKeyOPBUNWDGQRJONG-UHFFFAOYSA-N
XLogP3.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119268362
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 119268365
2-(diethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 56538678
3-amino-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 119682383
3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119682920
N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348322
3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one
CID 116598935
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 27807987
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113118985
2-amino-N-(2,3-dimethylphenyl)-2-phenylacetamide
CID 24694954
4-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119268380

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide (CID 119684102) is 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide is Cc1cccc(NC(=O)CN(C)C(=O)C(C)C(N)c2ccccc2)c1C.
What is the InChIKey of 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide?
The InChIKey is OPBUNWDGQRJONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-9-8-12-18(15(14)2)23-19(25)13-24(4)21(26)16(3)20(22)17-10-6-5-7-11-17/h5-12,16,20H,13,22H2,1-4H3,(H,23,25).
What are the key properties of 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide?
3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide has a molecular weight of 353.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 119684102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).