2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide

C15H22N2O3 — CID 115413436

IUPAC2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCC2CO)c(N)c1
InChIInChI=1S/C15H22N2O3/c1-20-12-5-6-13(14(16)7-12)15(19)17-8-10-3-2-4-11(10)9-18/h5-7,10-11,18H,2-4,8-9,16H2,1H3,(H,17,19)
InChIKeyVHTDKHADISAEBT-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.42
Rot. Bonds5

About 2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide

2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide (PubChem CID 115413436) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
PubChem CID115413436
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCC2CO)c(N)c1
InChIInChI=1S/C15H22N2O3/c1-20-12-5-6-13(14(16)7-12)15(19)17-8-10-3-2-4-11(10)9-18/h5-7,10-11,18H,2-4,8-9,16H2,1H3,(H,17,19)
InChIKeyVHTDKHADISAEBT-UHFFFAOYSA-N
XLogP1.42
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.42
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

2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115413437
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
CID 106361507
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide
CID 115412843
2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115413435
2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 115413083
N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114313727
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 114317332
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
CID 114306706
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide
CID 106276358
5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid
CID 115413552
2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide
CID 113475265
N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 102885202

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide?
The IUPAC name of 2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide (CID 115413436) is 2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2CCCC2CO)c(N)c1.
What is the InChIKey of 2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide?
The InChIKey is VHTDKHADISAEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-12-5-6-13(14(16)7-12)15(19)17-8-10-3-2-4-11(10)9-18/h5-7,10-11,18H,2-4,8-9,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide?
2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 115413436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).