3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide

C14H20N2O2 — CID 78985061

IUPAC3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide
SMILESCOc1cc(N)cc(C(=O)NC2(C)CCCC2)c1
InChIInChI=1S/C14H20N2O2/c1-14(5-3-4-6-14)16-13(17)10-7-11(15)9-12(8-10)18-2/h7-9H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyXOZRSTVPJCDPEC-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.34
Rot. Bonds3

About 3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide

3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide (PubChem CID 78985061) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide
PubChem CID78985061
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide
SMILESCOc1cc(N)cc(C(=O)NC2(C)CCCC2)c1
InChIInChI=1S/C14H20N2O2/c1-14(5-3-4-6-14)16-13(17)10-7-11(15)9-12(8-10)18-2/h7-9H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyXOZRSTVPJCDPEC-UHFFFAOYSA-N
XLogP2.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.34
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

3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methoxybenzamide
CID 115453958
3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78985256
methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate
CID 81090884
3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide
CID 81089939
(3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 81091094
3-amino-4-methoxy-N-(1-methylcyclopentyl)benzamide
CID 61364767
3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide
CID 81092038
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide
CID 81091867
3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758337
3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416341
3-amino-5-methoxy-N-(thiolan-2-ylmethyl)benzamide
CID 81091777

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide?
The IUPAC name of 3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide (CID 78985061) is 3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide is COc1cc(N)cc(C(=O)NC2(C)CCCC2)c1.
What is the InChIKey of 3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide?
The InChIKey is XOZRSTVPJCDPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(5-3-4-6-14)16-13(17)10-7-11(15)9-12(8-10)18-2/h7-9H,3-6,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide?
3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 2.34, 3 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-(1-methylcyclopentyl)benzamide is sourced from PubChem (CID 78985061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).