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

C14H22N2O2 — CID 106347915

IUPAC3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)12(7-8-17)16-13(18)10-5-4-6-11(15)9-10/h4-6,9,12,17H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyDXWZRZOLMDBCIX-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.80
Rot. Bonds4

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

3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (PubChem CID 106347915) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
PubChem CID106347915
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)12(7-8-17)16-13(18)10-5-4-6-11(15)9-10/h4-6,9,12,17H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyDXWZRZOLMDBCIX-UHFFFAOYSA-N
XLogP1.80
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.80
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

3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347896
2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347919
3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 106347887
3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347949
3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide
CID 104630338
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide
CID 106353049
3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 43705350
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide
CID 106353350
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347840
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide
CID 106353051
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The IUPAC name of 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (CID 106347915) is 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.
What is the SMILES notation for 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The canonical SMILES for 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is CC(C)(C)C(CCO)NC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The InChIKey is DXWZRZOLMDBCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)12(7-8-17)16-13(18)10-5-4-6-11(15)9-10/h4-6,9,12,17H,7-8,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is sourced from PubChem (CID 106347915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).