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

C16H24N2O3 — CID 107416343

IUPAC2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide
SMILESCOc1cc(OC)c(N)c(C(=O)NCC2CCCC2C)c1
InChIInChI=1S/C16H24N2O3/c1-10-5-4-6-11(10)9-18-16(19)13-7-12(20-2)8-14(21-3)15(13)17/h7-8,10-11H,4-6,9,17H2,1-3H3,(H,18,19)
InChIKeyDBDTYSKENVAQOO-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.45
Rot. Bonds5

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

2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide (PubChem CID 107416343) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide
PubChem CID107416343
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide
SMILESCOc1cc(OC)c(N)c(C(=O)NCC2CCCC2C)c1
InChIInChI=1S/C16H24N2O3/c1-10-5-4-6-11(10)9-18-16(19)13-7-12(20-2)8-14(21-3)15(13)17/h7-8,10-11H,4-6,9,17H2,1-3H3,(H,18,19)
InChIKeyDBDTYSKENVAQOO-UHFFFAOYSA-N
XLogP2.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416341
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide
CID 114266909
2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115413435
2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
CID 114306706
2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114699962
2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 112606081
5-fluoro-2-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418921
5-amino-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-4-carboxamide
CID 107420177
2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115413436
cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate
CID 115604510

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide?
The IUPAC name of 2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide (CID 107416343) is 2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide?
The canonical SMILES for 2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide is COc1cc(OC)c(N)c(C(=O)NCC2CCCC2C)c1.
What is the InChIKey of 2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide?
The InChIKey is DBDTYSKENVAQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10-5-4-6-11(10)9-18-16(19)13-7-12(20-2)8-14(21-3)15(13)17/h7-8,10-11H,4-6,9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide?
2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 107416343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).