3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide

C15H24N4O — CID 63314897

IUPAC3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide
SMILESCN(CCNc1ccc(C(N)=O)cc1N)C1CCCC1
InChIInChI=1S/C15H24N4O/c1-19(12-4-2-3-5-12)9-8-18-14-7-6-11(15(17)20)10-13(14)16/h6-7,10,12,18H,2-5,8-9,16H2,1H3,(H2,17,20)
InChIKeyWVLYVWLNZQFYAT-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.65
Rot. Bonds6

About 3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide

3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide (PubChem CID 63314897) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide.

Molecular Properties

Compound Name3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide
PubChem CID63314897
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide
SMILESCN(CCNc1ccc(C(N)=O)cc1N)C1CCCC1
InChIInChI=1S/C15H24N4O/c1-19(12-4-2-3-5-12)9-8-18-14-7-6-11(15(17)20)10-13(14)16/h6-7,10,12,18H,2-5,8-9,16H2,1H3,(H2,17,20)
InChIKeyWVLYVWLNZQFYAT-UHFFFAOYSA-N
XLogP1.65
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide
CID 62976085
4-chloro-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62976267
3-amino-4-(ethylamino)benzamide
CID 43448330
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
CID 43448478
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide
CID 106119994
3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine
CID 63314499
3-amino-4-(2-cyclohexylethylamino)benzoic acid
CID 54887730
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62975524
1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one
CID 82136057
3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
CID 43448331

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide?
The IUPAC name of 3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide (CID 63314897) is 3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide.
What is the SMILES notation for 3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide?
The canonical SMILES for 3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide is CN(CCNc1ccc(C(N)=O)cc1N)C1CCCC1.
What is the InChIKey of 3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide?
The InChIKey is WVLYVWLNZQFYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-19(12-4-2-3-5-12)9-8-18-14-7-6-11(15(17)20)10-13(14)16/h6-7,10,12,18H,2-5,8-9,16H2,1H3,(H2,17,20).
What are the key properties of 3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide?
3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide is sourced from PubChem (CID 63314897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).