N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide

C12H18N2O3 — CID 104939111

IUPACN-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C12H18N2O3/c1-13(2)4-5-14(3)12(17)9-6-10(15)8-11(16)7-9/h6-8,15-16H,4-5H2,1-3H3
InChIKeyVWWGVIMXKVFSJJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.73
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide

N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide (PubChem CID 104939111) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide
PubChem CID104939111
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C12H18N2O3/c1-13(2)4-5-14(3)12(17)9-6-10(15)8-11(16)7-9/h6-8,15-16H,4-5H2,1-3H3
InChIKeyVWWGVIMXKVFSJJ-UHFFFAOYSA-N
XLogP0.73
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63694073
N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide
CID 104939182
N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide
CID 103892231
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63693984
N-(3-chlorobutyl)-3,5-dihydroxy-N-methylbenzamide
CID 107706167
2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide
CID 55226373
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
3,5-dihydroxy-N,N-dimethylbenzamide
CID 103893165
3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide
CID 104852714
N-[3-(dimethylamino)propyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63860357
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 175903314

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide (CID 104939111) is N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide is CN(C)CCN(C)C(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide?
The InChIKey is VWWGVIMXKVFSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-13(2)4-5-14(3)12(17)9-6-10(15)8-11(16)7-9/h6-8,15-16H,4-5H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide?
N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide has a molecular weight of 238.29 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 104939111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).