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

C23H29N3O2 — CID 84566542

IUPACN-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
SMILESCc1ccc(C)c(NC(=O)CN(CCC(=O)NCc2ccccc2)C2CC2)c1
InChIInChI=1S/C23H29N3O2/c1-17-8-9-18(2)21(14-17)25-23(28)16-26(20-10-11-20)13-12-22(27)24-15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJDGHVOZQYJIPTA-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.41
Rot. Bonds9

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

N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 84566542) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
PubChem CID84566542
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
SMILESCc1ccc(C)c(NC(=O)CN(CCC(=O)NCc2ccccc2)C2CC2)c1
InChIInChI=1S/C23H29N3O2/c1-17-8-9-18(2)21(14-17)25-23(28)16-26(20-10-11-20)13-12-22(27)24-15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJDGHVOZQYJIPTA-UHFFFAOYSA-N
XLogP3.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 84566538
N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide
CID 84562482
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-(2,3-dimethylphenyl)propanamide
CID 84567732
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 84567801
2-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoyl-methylamino]acetic acid
CID 84562924
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 84566567
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-ethoxyphenyl)propanamide
CID 84567767
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-propan-2-yloxypropyl)propanamide
CID 84566577

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide (CID 84566542) is N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide is Cc1ccc(C)c(NC(=O)CN(CCC(=O)NCc2ccccc2)C2CC2)c1.
What is the InChIKey of N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is JDGHVOZQYJIPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-8-9-18(2)21(14-17)25-23(28)16-26(20-10-11-20)13-12-22(27)24-15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide?
N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 379.50 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 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]propanamide is sourced from PubChem (CID 84566542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).