2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide

C15H23N3O — CID 43461239

IUPAC2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide
SMILESNC(=O)CN(Cc1cccc(N)c1)C1CCCCC1
InChIInChI=1S/C15H23N3O/c16-13-6-4-5-12(9-13)10-18(11-15(17)19)14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11,16H2,(H2,17,19)
InChIKeyISCPYOPWNFFGBI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.89
Rot. Bonds5

About 2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide

2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide (PubChem CID 43461239) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide
PubChem CID43461239
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide
SMILESNC(=O)CN(Cc1cccc(N)c1)C1CCCCC1
InChIInChI=1S/C15H23N3O/c16-13-6-4-5-12(9-13)10-18(11-15(17)19)14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11,16H2,(H2,17,19)
InChIKeyISCPYOPWNFFGBI-UHFFFAOYSA-N
XLogP1.89
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.89
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

3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
2-[cyclopentyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 82973746
N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-methylcyclopentane-1-carboxamide
CID 107174783
2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone
CID 43460799
2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide
CID 107347341
2-[cyclopentyl-[(2-hydrazinyl-4-pyridinyl)methyl]amino]acetamide
CID 62471525
1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea
CID 43460769
2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
CID 77044474
N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide
CID 43459677
2-[cyclopentyl(1H-indol-4-ylmethyl)amino]acetamide
CID 84593179
3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline
CID 61030225
2-[(3-aminophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 21460485

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide (CID 43461239) is 2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide is NC(=O)CN(Cc1cccc(N)c1)C1CCCCC1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide?
The InChIKey is ISCPYOPWNFFGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-13-6-4-5-12(9-13)10-18(11-15(17)19)14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11,16H2,(H2,17,19).
What are the key properties of 2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide?
2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide is sourced from PubChem (CID 43461239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).