N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide

C15H23NO4 — CID 79387015

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H23NO4/c1-6-16(10-15(2,3)18)14(17)11-7-12(19-4)9-13(8-11)20-5/h7-9,18H,6,10H2,1-5H3
InChIKeyNEPHGQGPEFSQHD-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.94
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide (PubChem CID 79387015) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide
PubChem CID79387015
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H23NO4/c1-6-16(10-15(2,3)18)14(17)11-7-12(19-4)9-13(8-11)20-5/h7-9,18H,6,10H2,1-5H3
InChIKeyNEPHGQGPEFSQHD-UHFFFAOYSA-N
XLogP1.94
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide
CID 28707665
methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate
CID 61007489
N,N-dibutyl-3,5-dimethoxybenzamide
CID 4198508
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 111859493
3-hydroxy-5-methoxy-N,N-dipropylbenzamide
CID 101268290
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)propanamide
CID 111596140
4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384782
N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide
CID 4882260
1-(3,5-dimethoxyphenyl)-2,2-dimethylbutan-1-one
CID 115785481
5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide
CID 111596458
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
CID 79487406
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 79380762

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide (CID 79387015) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide is CCN(CC(C)(C)O)C(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide?
The InChIKey is NEPHGQGPEFSQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-6-16(10-15(2,3)18)14(17)11-7-12(19-4)9-13(8-11)20-5/h7-9,18H,6,10H2,1-5H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide has a molecular weight of 281.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 79387015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).