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

C15H24N2O3 — CID 81091867

IUPAC3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)NCC(C)(O)CC(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-10(2)8-15(3,19)9-17-14(18)11-5-12(16)7-13(6-11)20-4/h5-7,10,19H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyXRZYZUJOMXAFEC-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.80
Rot. Bonds6

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

3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide (PubChem CID 81091867) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide
PubChem CID81091867
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)NCC(C)(O)CC(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-10(2)8-15(3,19)9-17-14(18)11-5-12(16)7-13(6-11)20-4/h5-7,10,19H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyXRZYZUJOMXAFEC-UHFFFAOYSA-N
XLogP1.80
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.80
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

3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78985256
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide
CID 104783057
methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate
CID 81090884
4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001318
3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78985037
3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide
CID 81089939
3-amino-4-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179269
3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide
CID 78985061
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
N-(2-hydroxy-2,4-dimethylpentyl)-3-propoxybenzamide
CID 66178761
2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)-6-oxo-1H-pyridine-4-carboxamide
CID 66179128
3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139483

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide?
The IUPAC name of 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide (CID 81091867) is 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide is COc1cc(N)cc(C(=O)NCC(C)(O)CC(C)C)c1.
What is the InChIKey of 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide?
The InChIKey is XRZYZUJOMXAFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)8-15(3,19)9-17-14(18)11-5-12(16)7-13(6-11)20-4/h5-7,10,19H,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide?
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide has a molecular weight of 280.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide is sourced from PubChem (CID 81091867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).