ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide

C12H19NO3 — CID 144990982

IUPACethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
SMILESCC.COc1ccc(C(=O)N(C)C)c(O)c1
InChIInChI=1S/C10H13NO3.C2H6/c1-11(2)10(13)8-5-4-7(14-3)6-9(8)12;1-2/h4-6,12H,1-3H3;1-2H3
InChIKeySNZXMMPIGZFLNE-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.13
Rot. Bonds2

About ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide

ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide (PubChem CID 144990982) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Nameethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
PubChem CID144990982
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
SMILESCC.COc1ccc(C(=O)N(C)C)c(O)c1
InChIInChI=1S/C10H13NO3.C2H6/c1-11(2)10(13)8-5-4-7(14-3)6-9(8)12;1-2/h4-6,12H,1-3H3;1-2H3
InChIKeySNZXMMPIGZFLNE-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide 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-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
CID 24711323
2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide
CID 43430281
N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 62003405
4-methoxy-N,N-dimethyl-2-[(E)-prop-1-enyl]benzamide
CID 132533977
methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate
CID 60715393
N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 62980842
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 76928324
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 63223234
N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 47402310
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 30604031
N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 61351225

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide?
The IUPAC name of ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide (CID 144990982) is ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide is CC.COc1ccc(C(=O)N(C)C)c(O)c1.
What is the InChIKey of ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide?
The InChIKey is SNZXMMPIGZFLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.C2H6/c1-11(2)10(13)8-5-4-7(14-3)6-9(8)12;1-2/h4-6,12H,1-3H3;1-2H3.
What are the key properties of ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide?
ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide has a molecular weight of 225.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 144990982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).