N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide

C14H22N2O3 — CID 63755983

IUPACN-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(CN)CC(C)C)c1O
InChIInChI=1S/C14H22N2O3/c1-9(2)7-10(8-15)16-14(18)11-5-4-6-12(19-3)13(11)17/h4-6,9-10,17H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyIZKDPQVJMBGDMH-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.50
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide

N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide (PubChem CID 63755983) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide
PubChem CID63755983
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(CN)CC(C)C)c1O
InChIInChI=1S/C14H22N2O3/c1-9(2)7-10(8-15)16-14(18)11-5-4-6-12(19-3)13(11)17/h4-6,9-10,17H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyIZKDPQVJMBGDMH-UHFFFAOYSA-N
XLogP1.50
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 60653927
methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate
CID 43386285
N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide
CID 63753586
N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide
CID 113272537
N-(1-aminobutan-2-yl)-2-methoxybenzamide
CID 63753352
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 115622767
N-(1-bromo-3-methoxypropan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 106184198
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide
CID 81461199
3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 24697724
N-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide
CID 115647144

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide (CID 63755983) is N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide is COc1cccc(C(=O)NC(CN)CC(C)C)c1O.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide?
The InChIKey is IZKDPQVJMBGDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)7-10(8-15)16-14(18)11-5-4-6-12(19-3)13(11)17/h4-6,9-10,17H,7-8,15H2,1-3H3,(H,16,18).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide?
N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 63755983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).