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

C12H18N2O3 — CID 106840121

IUPAC3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
SMILESCOc1c(N)cccc1C(=O)NCCCCO
InChIInChI=1S/C12H18N2O3/c1-17-11-9(5-4-6-10(11)13)12(16)14-7-2-3-8-15/h4-6,15H,2-3,7-8,13H2,1H3,(H,14,16)
InChIKeyORNNGIKBWVVHJE-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.78
Rot. Bonds6

About 3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide

3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide (PubChem CID 106840121) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
PubChem CID106840121
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
SMILESCOc1c(N)cccc1C(=O)NCCCCO
InChIInChI=1S/C12H18N2O3/c1-17-11-9(5-4-6-10(11)13)12(16)14-7-2-3-8-15/h4-6,15H,2-3,7-8,13H2,1H3,(H,14,16)
InChIKeyORNNGIKBWVVHJE-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

3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide
CID 107316263
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
3-amino-N-(cyclopentylmethyl)-2-methoxybenzamide
CID 113386375
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide
CID 106033320
3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methoxybenzamide
CID 106242351
3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514863

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide?
The IUPAC name of 3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide (CID 106840121) is 3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide?
The canonical SMILES for 3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide is COc1c(N)cccc1C(=O)NCCCCO.
What is the InChIKey of 3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide?
The InChIKey is ORNNGIKBWVVHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-17-11-9(5-4-6-10(11)13)12(16)14-7-2-3-8-15/h4-6,15H,2-3,7-8,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide?
3-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 3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide is sourced from PubChem (CID 106840121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).