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

C22H27N3O2 — CID 84568147

IUPAC3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
SMILESCc1ccc(C)c(NC(=O)CN(CCC(=O)Nc2ccccc2)C2CC2)c1
InChIInChI=1S/C22H27N3O2/c1-16-8-9-17(2)20(14-16)24-22(27)15-25(19-10-11-19)13-12-21(26)23-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyWYEOHMHXURXCQM-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.74
Rot. Bonds8

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

3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide (PubChem CID 84568147) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
PubChem CID84568147
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
SMILESCc1ccc(C)c(NC(=O)CN(CCC(=O)Nc2ccccc2)C2CC2)c1
InChIInChI=1S/C22H27N3O2/c1-16-8-9-17(2)20(14-16)24-22(27)15-25(19-10-11-19)13-12-21(26)23-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyWYEOHMHXURXCQM-UHFFFAOYSA-N
XLogP3.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.74
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
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-(3-methoxyphenyl)propanamide
CID 84567756
N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566542
methyl 3-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoylamino]benzoate
CID 84568156
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
[4-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoylamino]phenyl] thiocyanate
CID 84568133
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 84568204
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 84567767
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]-N-methylpropanamide
CID 84562482

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide?
The IUPAC name of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide (CID 84568147) is 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide.
What is the SMILES notation for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide?
The canonical SMILES for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide is Cc1ccc(C)c(NC(=O)CN(CCC(=O)Nc2ccccc2)C2CC2)c1.
What is the InChIKey of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide?
The InChIKey is WYEOHMHXURXCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-8-9-17(2)20(14-16)24-22(27)15-25(19-10-11-19)13-12-21(26)23-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide?
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide has a molecular weight of 365.48 g/mol, XLogP of 3.74, 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-phenylpropanamide is sourced from PubChem (CID 84568147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).