N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide

C16H25NO4 — CID 103772396

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCC(C)(C)CCO)cc(OC)c1C
InChIInChI=1S/C16H25NO4/c1-11-13(20-4)8-12(9-14(11)21-5)15(19)17-10-16(2,3)6-7-18/h8-9,18H,6-7,10H2,1-5H3,(H,17,19)
InChIKeyZWVLWOPAXPHMQE-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.15
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide

N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide (PubChem CID 103772396) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide
PubChem CID103772396
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCC(C)(C)CCO)cc(OC)c1C
InChIInChI=1S/C16H25NO4/c1-11-13(20-4)8-12(9-14(11)21-5)15(19)17-10-16(2,3)6-7-18/h8-9,18H,6-7,10H2,1-5H3,(H,17,19)
InChIKeyZWVLWOPAXPHMQE-UHFFFAOYSA-N
XLogP2.15
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide 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

4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide
CID 103772465
N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide
CID 103772268
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide
CID 106139342
N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide
CID 107318370
N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide
CID 122141755
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
CID 103772341
N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
CID 106141080
3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide
CID 75441473
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide
CID 107847342
3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide
CID 30600070
3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 62675124
N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide
CID 104629634

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide (CID 103772396) is N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NCC(C)(C)CCO)cc(OC)c1C.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is ZWVLWOPAXPHMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-11-13(20-4)8-12(9-14(11)21-5)15(19)17-10-16(2,3)6-7-18/h8-9,18H,6-7,10H2,1-5H3,(H,17,19).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide?
N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 295.38 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 103772396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).