N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide

C12H18N2O3 — CID 63754997

IUPACN-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
SMILESCCC(CN)NC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C12H18N2O3/c1-3-8(7-13)14-12(16)10-5-4-9(17-2)6-11(10)15/h4-6,8,15H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyJEZGMKRZJIZHNQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.87
Rot. Bonds5

About N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide

N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide (PubChem CID 63754997) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
PubChem CID63754997
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
SMILESCCC(CN)NC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C12H18N2O3/c1-3-8(7-13)14-12(16)10-5-4-9(17-2)6-11(10)15/h4-6,8,15H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyJEZGMKRZJIZHNQ-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminobutan-2-yl)-2,4-dimethoxybenzamide
CID 63755359
N-(1-bromopentan-3-yl)-2-hydroxy-4-methoxybenzamide
CID 113496406
N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 62651239
N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 106180071
N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
CID 55101251
2-hydroxy-4-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 43019441
N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677142
N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 47931232
2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide
CID 103944607
N-(1-aminobutan-2-yl)-2-methoxybenzamide
CID 63753352
2-fluoro-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 103604548
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide (CID 63754997) is N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide is CCC(CN)NC(=O)c1ccc(OC)cc1O.
What is the InChIKey of N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide?
The InChIKey is JEZGMKRZJIZHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-8(7-13)14-12(16)10-5-4-9(17-2)6-11(10)15/h4-6,8,15H,3,7,13H2,1-2H3,(H,14,16).
What are the key properties of N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide?
N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide has a molecular weight of 238.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 63754997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).