3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide

C24H31N3O2 — CID 84567313

IUPAC3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCN(CC(=O)Nc2c(C)cccc2C)C2CC2)c1
InChIInChI=1S/C24H31N3O2/c1-16-12-17(2)14-20(13-16)25-22(28)10-11-27(21-8-9-21)15-23(29)26-24-18(3)6-5-7-19(24)4/h5-7,12-14,21H,8-11,15H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyRMNKVEHFGDEGEJ-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.35
Rot. Bonds8

About 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide

3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide (PubChem CID 84567313) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide
PubChem CID84567313
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCN(CC(=O)Nc2c(C)cccc2C)C2CC2)c1
InChIInChI=1S/C24H31N3O2/c1-16-12-17(2)14-20(13-16)25-22(28)10-11-27(21-8-9-21)15-23(29)26-24-18(3)6-5-7-19(24)4/h5-7,12-14,21H,8-11,15H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyRMNKVEHFGDEGEJ-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-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide
CID 84567301
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(4-hydroxyphenyl)propanamide
CID 84566689
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2,4-dimethylphenyl)propanamide
CID 84567311
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)phenyl]propanamide
CID 84566697
methyl 3-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]benzoate
CID 84567361
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 84565827
N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566712
N-(4-chloro-3-nitrophenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567295
3-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]propanoic acid
CID 84565869
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 84567286
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 84565854
2-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]pentanoic acid
CID 84565877

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide (CID 84567313) is 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide is Cc1cc(C)cc(NC(=O)CCN(CC(=O)Nc2c(C)cccc2C)C2CC2)c1.
What is the InChIKey of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is RMNKVEHFGDEGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-16-12-17(2)14-20(13-16)25-22(28)10-11-27(21-8-9-21)15-23(29)26-24-18(3)6-5-7-19(24)4/h5-7,12-14,21H,8-11,15H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of 3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide?
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-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-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 84567313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).