5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide

C15H24N2O2 — CID 106139408

IUPAC5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C15H24N2O2/c1-11-5-6-12(16)9-13(11)14(19)17-10-15(2,3)7-4-8-18/h5-6,9,18H,4,7-8,10,16H2,1-3H3,(H,17,19)
InChIKeyRNWIVRLBATVFLY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.11
Rot. Bonds6

About 5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide

5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide (PubChem CID 106139408) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
PubChem CID106139408
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C15H24N2O2/c1-11-5-6-12(16)9-13(11)14(19)17-10-15(2,3)7-4-8-18/h5-6,9,18H,4,7-8,10,16H2,1-3H3,(H,17,19)
InChIKeyRNWIVRLBATVFLY-UHFFFAOYSA-N
XLogP2.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899859
5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 106139343
N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide
CID 103899541
methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate
CID 120633675
2-bromo-5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899354
5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
CID 120624182
2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 106141392
3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899701
4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
CID 107316298
5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 82890585

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide (CID 106139408) is 5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NCC(C)(C)CCCO.
What is the InChIKey of 5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide?
The InChIKey is RNWIVRLBATVFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-5-6-12(16)9-13(11)14(19)17-10-15(2,3)7-4-8-18/h5-6,9,18H,4,7-8,10,16H2,1-3H3,(H,17,19).
What are the key properties of 5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide?
5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide is sourced from PubChem (CID 106139408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).