3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide

C15H23N3O — CID 107416557

IUPAC3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCC2CCCC2C)c(N)c1
InChIInChI=1S/C15H23N3O/c1-10-4-3-5-12(10)9-18-14-7-6-11(8-13(14)16)15(19)17-2/h6-8,10,12,18H,3-5,9,16H2,1-2H3,(H,17,19)
InChIKeySDKAICUFFRYHLX-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.48
Rot. Bonds4

About 3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide

3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide (PubChem CID 107416557) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide
PubChem CID107416557
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCC2CCCC2C)c(N)c1
InChIInChI=1S/C15H23N3O/c1-10-4-3-5-12(10)9-18-14-7-6-11(8-13(14)16)15(19)17-2/h6-8,10,12,18H,3-5,9,16H2,1-2H3,(H,17,19)
InChIKeySDKAICUFFRYHLX-UHFFFAOYSA-N
XLogP2.48
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide
CID 63358840
3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990424
3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide
CID 83000366
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 55013528
methyl 3-amino-4-(cyclobutylmethylamino)benzoate
CID 61307905
3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 82988789
3-fluoro-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 63511861
3-amino-4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-N-methylbenzamide
CID 82999869
3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide
CID 82988974
3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide
CID 106119994
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzamide
CID 82999428

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide?
The IUPAC name of 3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide (CID 107416557) is 3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide?
The canonical SMILES for 3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide is CNC(=O)c1ccc(NCC2CCCC2C)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide?
The InChIKey is SDKAICUFFRYHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-4-3-5-12(10)9-18-14-7-6-11(8-13(14)16)15(19)17-2/h6-8,10,12,18H,3-5,9,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide?
3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide is sourced from PubChem (CID 107416557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).