N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide

C15H24N2O3 — CID 106357233

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC(CCN)C(C)(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)13(7-8-16)17-14(19)11-9-10(20-4)5-6-12(11)18/h5-6,9,13,18H,7-8,16H2,1-4H3,(H,17,19)
InChIKeyFONSQMXEEPVRJH-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.89
Rot. Bonds5

About N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide

N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide (PubChem CID 106357233) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
PubChem CID106357233
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC(CCN)C(C)(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)13(7-8-16)17-14(19)11-9-10(20-4)5-6-12(11)18/h5-6,9,13,18H,7-8,16H2,1-4H3,(H,17,19)
InChIKeyFONSQMXEEPVRJH-UHFFFAOYSA-N
XLogP1.89
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106356090
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide
CID 106356974
N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 62651239
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide
CID 107859859
2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353093
N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 106180071
N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide
CID 114208009
methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
CID 43422798
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 113245854
(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid
CID 95359062
(2S)-2-[(2-hydroxy-5-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 61174665

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide (CID 106357233) is N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NC(CCN)C(C)(C)C)c1.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is FONSQMXEEPVRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)13(7-8-16)17-14(19)11-9-10(20-4)5-6-12(11)18/h5-6,9,13,18H,7-8,16H2,1-4H3,(H,17,19).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 280.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 106357233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).