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

C15H24N2O3 — CID 104783057

IUPAC4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(C)(O)CC(C)C)ccc1N
InChIInChI=1S/C15H24N2O3/c1-10(2)8-15(3,19)9-17-14(18)11-5-6-12(16)13(7-11)20-4/h5-7,10,19H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyPOLVTDNGVATZSN-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.80
Rot. Bonds6

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

4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide (PubChem CID 104783057) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide
PubChem CID104783057
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(C)(O)CC(C)C)ccc1N
InChIInChI=1S/C15H24N2O3/c1-10(2)8-15(3,19)9-17-14(18)11-5-6-12(16)13(7-11)20-4/h5-7,10,19H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyPOLVTDNGVATZSN-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

4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 104783009
4-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 104783008
3-amino-4-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179269
4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide
CID 103459930
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide
CID 81091867
4-amino-3-methoxy-N-(4-methylpentyl)benzamide
CID 104782675
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide
CID 106139342
methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107211629
N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 66171666
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide
CID 82990428
4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107989597

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide (CID 104783057) is 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide is COc1cc(C(=O)NCC(C)(O)CC(C)C)ccc1N.
What is the InChIKey of 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide?
The InChIKey is POLVTDNGVATZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)8-15(3,19)9-17-14(18)11-5-6-12(16)13(7-11)20-4/h5-7,10,19H,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide?
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-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 4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide is sourced from PubChem (CID 104783057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).