N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide

C15H24N2O2 — CID 107158602

IUPACN-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(N)CC(C)(C)C)c(O)c1
InChIInChI=1S/C15H24N2O2/c1-10-5-6-12(13(18)7-10)14(19)17-9-11(16)8-15(2,3)4/h5-7,11,18H,8-9,16H2,1-4H3,(H,17,19)
InChIKeyIOUUOXGQQLTLTB-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.19
Rot. Bonds4

About N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide

N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide (PubChem CID 107158602) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide
PubChem CID107158602
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(N)CC(C)(C)C)c(O)c1
InChIInChI=1S/C15H24N2O2/c1-10-5-6-12(13(18)7-10)14(19)17-9-11(16)8-15(2,3)4/h5-7,11,18H,8-9,16H2,1-4H3,(H,17,19)
InChIKeyIOUUOXGQQLTLTB-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-(2-amino-4,4-dimethylpentyl)-2-fluoro-5-methylbenzamide
CID 107158423
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
CID 115365709
N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
CID 107727577
N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide
CID 107158406
N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide
CID 107158461
N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide
CID 107158363
N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
CID 103462004
2-hydroxy-4-methyl-N-(2-phenylpropyl)benzamide
CID 47098893
2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 113245894
1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
CID 107158914
4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 103830009
2-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657497

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide (CID 107158602) is N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCC(N)CC(C)(C)C)c(O)c1.
What is the InChIKey of N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide?
The InChIKey is IOUUOXGQQLTLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-5-6-12(13(18)7-10)14(19)17-9-11(16)8-15(2,3)4/h5-7,11,18H,8-9,16H2,1-4H3,(H,17,19).
What are the key properties of N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide?
N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-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-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 107158602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).