2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide

C17H27N3O — CID 115546593

IUPAC2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide
SMILESCC(C)CCN(c1cccc(C(N)=O)c1N)C1CCCC1
InChIInChI=1S/C17H27N3O/c1-12(2)10-11-20(13-6-3-4-7-13)15-9-5-8-14(16(15)18)17(19)21/h5,8-9,12-13H,3-4,6-7,10-11,18H2,1-2H3,(H2,19,21)
InChIKeyQPFLPMOSYJXMMM-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.16
Rot. Bonds6

About 2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide

2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide (PubChem CID 115546593) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide
PubChem CID115546593
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide
SMILESCC(C)CCN(c1cccc(C(N)=O)c1N)C1CCCC1
InChIInChI=1S/C17H27N3O/c1-12(2)10-11-20(13-6-3-4-7-13)15-9-5-8-14(16(15)18)17(19)21/h5,8-9,12-13H,3-4,6-7,10-11,18H2,1-2H3,(H2,19,21)
InChIKeyQPFLPMOSYJXMMM-UHFFFAOYSA-N
XLogP3.16
TPSA72.35 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 ≤ 53.16
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

2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide
CID 113332803
2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide
CID 115545500
2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide
CID 102868412
2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide
CID 115545488
2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzonitrile
CID 104716929
1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 78973859
2-amino-3-[2-cyanoethyl(cyclopropyl)amino]benzamide
CID 113332800
2-[cyclopentyl(3-methylbutyl)amino]-3-methylbenzoic acid
CID 107112300
2-amino-4-[cyclopentyl(3-methylbutyl)amino]benzoic acid
CID 104500779
2-amino-3-[cyclohexyl(methyl)amino]benzoic acid
CID 113332437
2-amino-3-[cyclopropylmethyl(propyl)amino]benzamide
CID 113332696
N-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142527

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide?
The IUPAC name of 2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide (CID 115546593) is 2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide.
What is the SMILES notation for 2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide?
The canonical SMILES for 2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide is CC(C)CCN(c1cccc(C(N)=O)c1N)C1CCCC1.
What is the InChIKey of 2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide?
The InChIKey is QPFLPMOSYJXMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)10-11-20(13-6-3-4-7-13)15-9-5-8-14(16(15)18)17(19)21/h5,8-9,12-13H,3-4,6-7,10-11,18H2,1-2H3,(H2,19,21).
What are the key properties of 2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide?
2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide has a molecular weight of 289.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide is sourced from PubChem (CID 115546593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).