2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide

C14H22N2O3 — CID 106139273

IUPAC2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCC(C)(C)CCO)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,6-7-17)9-16-13(18)11-8-10(19-3)4-5-12(11)15/h4-5,8,17H,6-7,9,15H2,1-3H3,(H,16,18)
InChIKeyOVPOIVGVNIFSFA-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.42
Rot. Bonds6

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

2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide (PubChem CID 106139273) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide
PubChem CID106139273
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCC(C)(C)CCO)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,6-7-17)9-16-13(18)11-8-10(19-3)4-5-12(11)15/h4-5,8,17H,6-7,9,15H2,1-3H3,(H,16,18)
InChIKeyOVPOIVGVNIFSFA-UHFFFAOYSA-N
XLogP1.42
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide
CID 66169982
N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide
CID 103772268
2-amino-N-(2-hydroxy-2-methylpentyl)-5-methoxybenzamide
CID 106289273
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide
CID 63863359
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide
CID 115514769
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide
CID 115405286
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 103772274
2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide
CID 70098352
N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide
CID 106145403

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide (CID 106139273) is 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide is COc1ccc(N)c(C(=O)NCC(C)(C)CCO)c1.
What is the InChIKey of 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide?
The InChIKey is OVPOIVGVNIFSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,6-7-17)9-16-13(18)11-8-10(19-3)4-5-12(11)15/h4-5,8,17H,6-7,9,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide?
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide is sourced from PubChem (CID 106139273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).