N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide

C24H31N3O2 — CID 84562482

IUPACN-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide
SMILESCc1ccc(C)c(NC(=O)CN(CCC(=O)N(C)Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C24H31N3O2/c1-18-9-10-19(2)22(15-18)25-23(28)17-27(21-11-12-21)14-13-24(29)26(3)16-20-7-5-4-6-8-20/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,25,28)
InChIKeyNGUDGXFZVXMZMP-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.76
Rot. Bonds9

About N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide

N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide (PubChem CID 84562482) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide
PubChem CID84562482
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide
SMILESCc1ccc(C)c(NC(=O)CN(CCC(=O)N(C)Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C24H31N3O2/c1-18-9-10-19(2)22(15-18)25-23(28)17-27(21-11-12-21)14-13-24(29)26(3)16-20-7-5-4-6-8-20/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,25,28)
InChIKeyNGUDGXFZVXMZMP-UHFFFAOYSA-N
XLogP3.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 84568147
N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567171
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-(2,3-dimethylphenyl)propanamide
CID 84567732
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 84567801
5-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoylamino]benzene-1,3-dicarboxylic acid
CID 84567726
3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
CID 171154393
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567729
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)propanamide
CID 84567756

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide (CID 84562482) is N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide is Cc1ccc(C)c(NC(=O)CN(CCC(=O)N(C)Cc2ccccc2)C2CC2)c1.
What is the InChIKey of N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide?
The InChIKey is NGUDGXFZVXMZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-9-10-19(2)22(15-18)25-23(28)17-27(21-11-12-21)14-13-24(29)26(3)16-20-7-5-4-6-8-20/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,25,28).
What are the key properties of N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide?
N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide has a molecular weight of 393.53 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide is sourced from PubChem (CID 84562482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).