3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide

C25H28N2O — CID 84568226

IUPAC3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN(Cc2cccc3ccccc23)C2CC2)c1
InChIInChI=1S/C25H28N2O/c1-18-10-11-19(2)24(16-18)26-25(28)14-15-27(22-12-13-22)17-21-8-5-7-20-6-3-4-9-23(20)21/h3-11,16,22H,12-15,17H2,1-2H3,(H,26,28)
InChIKeyRDGSSFFUXZGYIU-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.45
Rot. Bonds7

About 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide

3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide (PubChem CID 84568226) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide
PubChem CID84568226
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN(Cc2cccc3ccccc23)C2CC2)c1
InChIInChI=1S/C25H28N2O/c1-18-10-11-19(2)24(16-18)26-25(28)14-15-27(22-12-13-22)17-21-8-5-7-20-6-3-4-9-23(20)21/h3-11,16,22H,12-15,17H2,1-2H3,(H,26,28)
InChIKeyRDGSSFFUXZGYIU-UHFFFAOYSA-N
XLogP5.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568214
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 84569096
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568221
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 84569102
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 84568147
N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566542
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,3-dimethylphenyl)propanamide
CID 84567732
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 84565015
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 84565003
N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84567191
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 84565012

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide (CID 84568226) is 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)CCN(Cc2cccc3ccccc23)C2CC2)c1.
What is the InChIKey of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is RDGSSFFUXZGYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-18-10-11-19(2)24(16-18)26-25(28)14-15-27(22-12-13-22)17-21-8-5-7-20-6-3-4-9-23(20)21/h3-11,16,22H,12-15,17H2,1-2H3,(H,26,28).
What are the key properties of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide?
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 372.51 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 84568226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).