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

C12H18N2O4 — CID 64540805

IUPACN-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(N)C(C)O)c(O)c1
InChIInChI=1S/C12H18N2O4/c1-7(15)10(13)6-14-12(17)9-4-3-8(18-2)5-11(9)16/h3-5,7,10,15-16H,6,13H2,1-2H3,(H,14,17)
InChIKeyNKJWYMBHGGBQFH-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.16
Rot. Bonds5

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

N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide (PubChem CID 64540805) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide
PubChem CID64540805
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(N)C(C)O)c(O)c1
InChIInChI=1S/C12H18N2O4/c1-7(15)10(13)6-14-12(17)9-4-3-8(18-2)5-11(9)16/h3-5,7,10,15-16H,6,13H2,1-2H3,(H,14,17)
InChIKeyNKJWYMBHGGBQFH-UHFFFAOYSA-N
XLogP-0.16
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide
CID 107261323
2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide
CID 103819096
2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 115302649
3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 114144207
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-4-methoxybenzamide
CID 106116218
N-(2-aminopropyl)-2,4-dihydroxybenzamide
CID 63733125
2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide
CID 115604496
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
CID 114617408
N-(2-amino-3-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 81119658
N-(2-aminopropyl)-2,5-dimethoxybenzamide
CID 63731879

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide (CID 64540805) is N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCC(N)C(C)O)c(O)c1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide?
The InChIKey is NKJWYMBHGGBQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-7(15)10(13)6-14-12(17)9-4-3-8(18-2)5-11(9)16/h3-5,7,10,15-16H,6,13H2,1-2H3,(H,14,17).
What are the key properties of N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide?
N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide has a molecular weight of 254.29 g/mol, XLogP of -0.16, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 64540805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).