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

C12H18N2O3 — CID 64927216

IUPAC2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCCC(C)O)c1
InChIInChI=1S/C12H18N2O3/c1-8(15)5-6-14-12(16)10-7-9(17-2)3-4-11(10)13/h3-4,7-8,15H,5-6,13H2,1-2H3,(H,14,16)
InChIKeyGVRDADLTHVKRKL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.78
Rot. Bonds5

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

2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide (PubChem CID 64927216) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
PubChem CID64927216
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCCC(C)O)c1
InChIInChI=1S/C12H18N2O3/c1-8(15)5-6-14-12(16)10-7-9(17-2)3-4-11(10)13/h3-4,7-8,15H,5-6,13H2,1-2H3,(H,14,16)
InChIKeyGVRDADLTHVKRKL-UHFFFAOYSA-N
XLogP0.78
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 104685620
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
2-amino-N-(2-cyanoethyl)-5-methoxybenzamide
CID 115412506
2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide
CID 115405286
2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide
CID 106284093
2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63983695
2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide
CID 115514769
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61117267
methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate
CID 54959759
2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79756137

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide (CID 64927216) is 2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide is COc1ccc(N)c(C(=O)NCCC(C)O)c1.
What is the InChIKey of 2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide?
The InChIKey is GVRDADLTHVKRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(15)5-6-14-12(16)10-7-9(17-2)3-4-11(10)13/h3-4,7-8,15H,5-6,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide?
2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide has a molecular weight of 238.29 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide is sourced from PubChem (CID 64927216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).