2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide

C15H22N2O3 — CID 115357765

IUPAC2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCC2(CO)CCCC2)c1
InChIInChI=1S/C15H22N2O3/c1-20-11-4-5-13(16)12(8-11)14(19)17-9-15(10-18)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10,16H2,1H3,(H,17,19)
InChIKeyNZJWFNXOELLXSD-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.56
Rot. Bonds5

About 2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide

2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide (PubChem CID 115357765) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
PubChem CID115357765
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCC2(CO)CCCC2)c1
InChIInChI=1S/C15H22N2O3/c1-20-11-4-5-13(16)12(8-11)14(19)17-9-15(10-18)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10,16H2,1H3,(H,17,19)
InChIKeyNZJWFNXOELLXSD-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
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

1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450797
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103967454
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
[1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol
CID 103965437
N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 103969819
3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide
CID 80717764
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 115364295
2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide
CID 114107082
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 103965168
1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid
CID 115413408

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide?
The IUPAC name of 2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide (CID 115357765) is 2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide is COc1ccc(N)c(C(=O)NCC2(CO)CCCC2)c1.
What is the InChIKey of 2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide?
The InChIKey is NZJWFNXOELLXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-11-4-5-13(16)12(8-11)14(19)17-9-15(10-18)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide?
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide is sourced from PubChem (CID 115357765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).