3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide

C13H20N2O3 — CID 107316263

IUPAC3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide
SMILESCOc1c(N)cccc1C(=O)NCCCCCO
InChIInChI=1S/C13H20N2O3/c1-18-12-10(6-5-7-11(12)14)13(17)15-8-3-2-4-9-16/h5-7,16H,2-4,8-9,14H2,1H3,(H,15,17)
InChIKeyTUIMYXWETCDULO-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.17
Rot. Bonds7

About 3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide

3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide (PubChem CID 107316263) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide
PubChem CID107316263
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide
SMILESCOc1c(N)cccc1C(=O)NCCCCCO
InChIInChI=1S/C13H20N2O3/c1-18-12-10(6-5-7-11(12)14)13(17)15-8-3-2-4-9-16/h5-7,16H,2-4,8-9,14H2,1H3,(H,15,17)
InChIKeyTUIMYXWETCDULO-UHFFFAOYSA-N
XLogP1.17
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840121
3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide
CID 107316231
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
tert-butyl N-[3-[(3-amino-2-methoxybenzoyl)amino]propyl]carbamate
CID 104932608
3-amino-2-bromo-N-(5-hydroxypentyl)benzamide
CID 107316301
N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide
CID 166023698
3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide
CID 107211143
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
CID 107318362
3-amino-N-(cyclopentylmethyl)-2-methoxybenzamide
CID 113386375
N-(6-bromohexyl)-2,3-dimethoxybenzamide
CID 107847510
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide?
The IUPAC name of 3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide (CID 107316263) is 3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide?
The canonical SMILES for 3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide is COc1c(N)cccc1C(=O)NCCCCCO.
What is the InChIKey of 3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide?
The InChIKey is TUIMYXWETCDULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-18-12-10(6-5-7-11(12)14)13(17)15-8-3-2-4-9-16/h5-7,16H,2-4,8-9,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide?
3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide is sourced from PubChem (CID 107316263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).