2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide

C17H27N3O — CID 60981646

IUPAC2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
SMILESCN(CCCNC(=O)c1ccccc1N)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-20(14-8-3-2-4-9-14)13-7-12-19-17(21)15-10-5-6-11-16(15)18/h5-6,10-11,14H,2-4,7-9,12-13,18H2,1H3,(H,19,21)
InChIKeyRJOKDPMYVIHYJY-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.65
Rot. Bonds6

About 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide

2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide (PubChem CID 60981646) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
PubChem CID60981646
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
SMILESCN(CCCNC(=O)c1ccccc1N)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-20(14-8-3-2-4-9-14)13-7-12-19-17(21)15-10-5-6-11-16(15)18/h5-6,10-11,14H,2-4,7-9,12-13,18H2,1H3,(H,19,21)
InChIKeyRJOKDPMYVIHYJY-UHFFFAOYSA-N
XLogP2.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide
CID 110443900
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
CID 63316134
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119851139
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 64524298
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 62788783
1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea
CID 86924684
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide
CID 114328325
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
CID 119945219
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
CID 16794531
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
N-(2-aminobenzoyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503788

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide?
The IUPAC name of 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide (CID 60981646) is 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide.
What is the SMILES notation for 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide?
The canonical SMILES for 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide is CN(CCCNC(=O)c1ccccc1N)C1CCCCC1.
What is the InChIKey of 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide?
The InChIKey is RJOKDPMYVIHYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(14-8-3-2-4-9-14)13-7-12-19-17(21)15-10-5-6-11-16(15)18/h5-6,10-11,14H,2-4,7-9,12-13,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide?
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide is sourced from PubChem (CID 60981646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).