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

C15H24N2O2 — CID 106357259

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(CCN)C(C)(C)C)c1O
InChIInChI=1S/C15H24N2O2/c1-10-6-5-7-11(13(10)18)14(19)17-12(8-9-16)15(2,3)4/h5-7,12,18H,8-9,16H2,1-4H3,(H,17,19)
InChIKeyXNIVQSKEEVOBGR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.19
Rot. Bonds4

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

N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide (PubChem CID 106357259) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide
PubChem CID106357259
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(CCN)C(C)(C)C)c1O
InChIInChI=1S/C15H24N2O2/c1-10-6-5-7-11(13(10)18)14(19)17-12(8-9-16)15(2,3)4/h5-7,12,18H,8-9,16H2,1-4H3,(H,17,19)
InChIKeyXNIVQSKEEVOBGR-UHFFFAOYSA-N
XLogP2.19
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide
CID 106357063
N-(1-amino-4,4-dimethylpentan-3-yl)naphthalene-1-carboxamide
CID 106357235
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-methylbenzamide
CID 106357210
N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide
CID 106357075
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide
CID 114178197
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide
CID 106356974
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-hydroxy-2-methylbenzamide
CID 114178025
N-(1-amino-4,4-dimethylpentan-3-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106357237
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106357233
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide
CID 115365600
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide
CID 106116184
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide (CID 106357259) is N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NC(CCN)C(C)(C)C)c1O.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide?
The InChIKey is XNIVQSKEEVOBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-6-5-7-11(13(10)18)14(19)17-12(8-9-16)15(2,3)4/h5-7,12,18H,8-9,16H2,1-4H3,(H,17,19).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 106357259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).