2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide

C17H25N3O — CID 43461001

IUPAC2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide
SMILESNc1ccccc1CN(CC(=O)NC1CCCC1)C1CC1
InChIInChI=1S/C17H25N3O/c18-16-8-4-1-5-13(16)11-20(15-9-10-15)12-17(21)19-14-6-2-3-7-14/h1,4-5,8,14-15H,2-3,6-7,9-12,18H2,(H,19,21)
InChIKeyHXSCPVNVVGTGRU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.29
Rot. Bonds6

About 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide

2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide (PubChem CID 43461001) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide
PubChem CID43461001
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide
SMILESNc1ccccc1CN(CC(=O)NC1CCCC1)C1CC1
InChIInChI=1S/C17H25N3O/c18-16-8-4-1-5-13(16)11-20(15-9-10-15)12-17(21)19-14-6-2-3-7-14/h1,4-5,8,14-15H,2-3,6-7,9-12,18H2,(H,19,21)
InChIKeyHXSCPVNVVGTGRU-UHFFFAOYSA-N
XLogP2.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 27106314
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide
CID 43384134
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide
CID 61489764
2-[benzyl(cyclohexyl)amino]-N-cyclopropylacetamide
CID 60522706
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide
CID 61489153
2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide
CID 102902341
ethyl 4-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]piperidine-1-carboxylate
CID 8991821
1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea
CID 116653604
2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide
CID 107347341
2-(2-amino-N-propylanilino)-N-cyclohexylacetamide
CID 63230630
2-[2-aminoethyl(cyclopropyl)amino]-N-cycloheptylacetamide
CID 62548939
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide (CID 43461001) is 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide is Nc1ccccc1CN(CC(=O)NC1CCCC1)C1CC1.
What is the InChIKey of 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide?
The InChIKey is HXSCPVNVVGTGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-16-8-4-1-5-13(16)11-20(15-9-10-15)12-17(21)19-14-6-2-3-7-14/h1,4-5,8,14-15H,2-3,6-7,9-12,18H2,(H,19,21).
What are the key properties of 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide?
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide has a molecular weight of 287.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide is sourced from PubChem (CID 43461001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).