4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide

C15H24N2O3 — CID 106139342

IUPAC4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(C)(C)CCCO)ccc1N
InChIInChI=1S/C15H24N2O3/c1-15(2,7-4-8-18)10-17-14(19)11-5-6-12(16)13(9-11)20-3/h5-6,9,18H,4,7-8,10,16H2,1-3H3,(H,17,19)
InChIKeyXXGTXUGMOBLRKH-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.81
Rot. Bonds7

About 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide

4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide (PubChem CID 106139342) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide
PubChem CID106139342
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(C)(C)CCCO)ccc1N
InChIInChI=1S/C15H24N2O3/c1-15(2,7-4-8-18)10-17-14(19)11-5-6-12(16)13(9-11)20-3/h5-6,9,18H,4,7-8,10,16H2,1-3H3,(H,17,19)
InChIKeyXXGTXUGMOBLRKH-UHFFFAOYSA-N
XLogP1.81
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide
CID 103459930
3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide
CID 75441473
4-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 104783008
N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
CID 106141080
N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide
CID 103899541
4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 104783009
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide
CID 104783057
3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899582
N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide
CID 103772396
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide
CID 103772465

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide (CID 106139342) is 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide is COc1cc(C(=O)NCC(C)(C)CCCO)ccc1N.
What is the InChIKey of 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide?
The InChIKey is XXGTXUGMOBLRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,7-4-8-18)10-17-14(19)11-5-6-12(16)13(9-11)20-3/h5-6,9,18H,4,7-8,10,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide?
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide has a molecular weight of 280.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide is sourced from PubChem (CID 106139342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).