2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide

C14H22N2O2 — CID 106139307

IUPAC2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)(C)CCO)c1N
InChIInChI=1S/C14H22N2O2/c1-10-5-4-6-11(12(10)15)13(18)16-9-14(2,3)7-8-17/h4-6,17H,7-9,15H2,1-3H3,(H,16,18)
InChIKeyZCDNJKIQWSOWAD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.72
Rot. Bonds5

About 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide

2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide (PubChem CID 106139307) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide
PubChem CID106139307
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)(C)CCO)c1N
InChIInChI=1S/C14H22N2O2/c1-10-5-4-6-11(12(10)15)13(18)16-9-14(2,3)7-8-17/h4-6,17H,7-9,15H2,1-3H3,(H,16,18)
InChIKeyZCDNJKIQWSOWAD-UHFFFAOYSA-N
XLogP1.72
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide
CID 115365600
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 114149338
3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899701
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbenzamide
CID 114007995
2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide
CID 114174059
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide
CID 114167051
N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide
CID 106147962
5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 106139408
2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106147923
N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103461119
N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide
CID 103899589

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide (CID 106139307) is 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide is Cc1cccc(C(=O)NCC(C)(C)CCO)c1N.
What is the InChIKey of 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide?
The InChIKey is ZCDNJKIQWSOWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-5-4-6-11(12(10)15)13(18)16-9-14(2,3)7-8-17/h4-6,17H,7-9,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide?
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide is sourced from PubChem (CID 106139307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).