5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide

C12H18N2O3 — CID 106840078

IUPAC5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCCCCO
InChIInChI=1S/C12H18N2O3/c1-17-11-5-4-9(13)8-10(11)12(16)14-6-2-3-7-15/h4-5,8,15H,2-3,6-7,13H2,1H3,(H,14,16)
InChIKeyLRWZDYPCNXVWBV-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.78
Rot. Bonds6

About 5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide

5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide (PubChem CID 106840078) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
PubChem CID106840078
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCCCCO
InChIInChI=1S/C12H18N2O3/c1-17-11-5-4-9(13)8-10(11)12(16)14-6-2-3-7-15/h4-5,8,15H,2-3,6-7,13H2,1H3,(H,14,16)
InChIKeyLRWZDYPCNXVWBV-UHFFFAOYSA-N
XLogP0.78
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.78
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'}

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Related Compounds

N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
5-amino-2-methoxy-N-(3-propoxypropyl)benzamide
CID 82949458
tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate
CID 104932681
5-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62634324
4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
CID 107316298
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452
5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
CID 61104069
5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040232
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide
CID 114755608
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62975328

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide?
The IUPAC name of 5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide (CID 106840078) is 5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide is COc1ccc(N)cc1C(=O)NCCCCO.
What is the InChIKey of 5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide?
The InChIKey is LRWZDYPCNXVWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-17-11-5-4-9(13)8-10(11)12(16)14-6-2-3-7-15/h4-5,8,15H,2-3,6-7,13H2,1H3,(H,14,16).
What are the key properties of 5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide?
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide has a molecular weight of 238.29 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide is sourced from PubChem (CID 106840078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).