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

C13H20N2O3 — CID 66090450

IUPACN-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)CCN)c1O
InChIInChI=1S/C13H20N2O3/c1-9(6-7-14)8-15-13(17)10-4-3-5-11(18-2)12(10)16/h3-5,9,16H,6-8,14H2,1-2H3,(H,15,17)
InChIKeyLVKSHKRDMXWNPQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.12
Rot. Bonds6

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

N-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide (PubChem CID 66090450) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide
PubChem CID66090450
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)CCN)c1O
InChIInChI=1S/C13H20N2O3/c1-9(6-7-14)8-15-13(17)10-4-3-5-11(18-2)12(10)16/h3-5,9,16H,6-8,14H2,1-2H3,(H,15,17)
InChIKeyLVKSHKRDMXWNPQ-UHFFFAOYSA-N
XLogP1.12
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylbutyl)-2-hydroxy-3-methoxybenzamide
CID 115613558
N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide
CID 66091129
N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
CID 66092297
N-(2-cyclopropylpropyl)-2-hydroxy-3-methoxybenzamide
CID 115591215
N-(4-amino-2-methylbutyl)-2-methylbenzamide
CID 66089966
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
2-hydroxy-3-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 115598366
2-hydroxy-3-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 60653927
2-hydroxy-4-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 114006239
(2S)-2-hydroxy-4-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 114006576
5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 82010234
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide (CID 66090450) is N-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide is COc1cccc(C(=O)NCC(C)CCN)c1O.
What is the InChIKey of N-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide?
The InChIKey is LVKSHKRDMXWNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(6-7-14)8-15-13(17)10-4-3-5-11(18-2)12(10)16/h3-5,9,16H,6-8,14H2,1-2H3,(H,15,17).
What are the key properties of N-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide?
N-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 66090450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).