3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide

C24H31N3O2 — CID 84567734

IUPAC3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN(CC(=O)Nc2cc(C)ccc2C)C2CC2)c1
InChIInChI=1S/C24H31N3O2/c1-16-5-7-18(3)21(13-16)25-23(28)11-12-27(20-9-10-20)15-24(29)26-22-14-17(2)6-8-19(22)4/h5-8,13-14,20H,9-12,15H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyJYGXIMOPPJBKCO-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.35
Rot. Bonds8

About 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide

3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide (PubChem CID 84567734) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
PubChem CID84567734
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN(CC(=O)Nc2cc(C)ccc2C)C2CC2)c1
InChIInChI=1S/C24H31N3O2/c1-16-5-7-18(3)21(13-16)25-23(28)11-12-27(20-9-10-20)15-24(29)26-22-14-17(2)6-8-19(22)4/h5-8,13-14,20H,9-12,15H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyJYGXIMOPPJBKCO-UHFFFAOYSA-N
XLogP4.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 84568147
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,3-dimethylphenyl)propanamide
CID 84567732
5-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoylamino]benzene-1,3-dicarboxylic acid
CID 84567726
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 84567801
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567729
2-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoyl-methylamino]acetic acid
CID 84562924
N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566542
N-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84568196
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 84564566
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 84564574
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 84567767
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-fluoro-2-pyridinyl)propanamide
CID 84568189

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide (CID 84567734) is 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)CCN(CC(=O)Nc2cc(C)ccc2C)C2CC2)c1.
What is the InChIKey of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is JYGXIMOPPJBKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-16-5-7-18(3)21(13-16)25-23(28)11-12-27(20-9-10-20)15-24(29)26-22-14-17(2)6-8-19(22)4/h5-8,13-14,20H,9-12,15H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide?
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 393.53 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 84567734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).