3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide

C15H22N2O2 — CID 107416341

IUPAC3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide
SMILESCOc1cc(N)cc(C(=O)NCC2CCCC2C)c1
InChIInChI=1S/C15H22N2O2/c1-10-4-3-5-11(10)9-17-15(18)12-6-13(16)8-14(7-12)19-2/h6-8,10-11H,3-5,9,16H2,1-2H3,(H,17,18)
InChIKeyMGDIJWHOSQNMRN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.44
Rot. Bonds4

About 3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide

3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide (PubChem CID 107416341) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide
PubChem CID107416341
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide
SMILESCOc1cc(N)cc(C(=O)NCC2CCCC2C)c1
InChIInChI=1S/C15H22N2O2/c1-10-4-3-5-11(10)9-17-15(18)12-6-13(16)8-14(7-12)19-2/h6-8,10-11H,3-5,9,16H2,1-2H3,(H,17,18)
InChIKeyMGDIJWHOSQNMRN-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.44
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-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416343
3-amino-5-methoxy-N-(thiolan-2-ylmethyl)benzamide
CID 81091777
N-[[2-(bromomethyl)cyclopentyl]methyl]-3,5-dimethoxybenzamide
CID 114317235
3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81089783
3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide
CID 81089939
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108767495
3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 81092770
methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate
CID 81090884
3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
CID 81090073
3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide
CID 81090332
3,5-diamino-N-(cyclopentylmethyl)benzamide
CID 61095768

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide?
The IUPAC name of 3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide (CID 107416341) is 3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide is COc1cc(N)cc(C(=O)NCC2CCCC2C)c1.
What is the InChIKey of 3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide?
The InChIKey is MGDIJWHOSQNMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-4-3-5-11(10)9-17-15(18)12-6-13(16)8-14(7-12)19-2/h6-8,10-11H,3-5,9,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide?
3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide has a molecular weight of 262.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 107416341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).