3,4-diethoxy-N-(2-methylpropyl)benzamide

C15H23NO3 — CID 918264

IUPAC3,4-diethoxy-N-(2-methylpropyl)benzamide
SMILESCCOc1ccc(C(=O)NCC(C)C)cc1OCC
InChIInChI=1S/C15H23NO3/c1-5-18-13-8-7-12(9-14(13)19-6-2)15(17)16-10-11(3)4/h7-9,11H,5-6,10H2,1-4H3,(H,16,17)
InChIKeyDGWLWEHSEZSKPK-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.87
Rot. Bonds7

About 3,4-diethoxy-N-(2-methylpropyl)benzamide

3,4-diethoxy-N-(2-methylpropyl)benzamide (PubChem CID 918264) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3,4-diethoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(2-methylpropyl)benzamide
PubChem CID918264
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3,4-diethoxy-N-(2-methylpropyl)benzamide
SMILESCCOc1ccc(C(=O)NCC(C)C)cc1OCC
InChIInChI=1S/C15H23NO3/c1-5-18-13-8-7-12(9-14(13)19-6-2)15(17)16-10-11(3)4/h7-9,11H,5-6,10H2,1-4H3,(H,16,17)
InChIKeyDGWLWEHSEZSKPK-UHFFFAOYSA-N
XLogP2.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
CID 1250371
N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide
CID 64541242
N-(2-cyanopropyl)-3,4-diethoxybenzamide
CID 62653111
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 62675508
3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59910538
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
(2S)-3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833549
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66166244
N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
CID 90498823
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of 3,4-diethoxy-N-(2-methylpropyl)benzamide (CID 918264) is 3,4-diethoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-(2-methylpropyl)benzamide is CCOc1ccc(C(=O)NCC(C)C)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(2-methylpropyl)benzamide?
The InChIKey is DGWLWEHSEZSKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-18-13-8-7-12(9-14(13)19-6-2)15(17)16-10-11(3)4/h7-9,11H,5-6,10H2,1-4H3,(H,16,17).
What are the key properties of 3,4-diethoxy-N-(2-methylpropyl)benzamide?
3,4-diethoxy-N-(2-methylpropyl)benzamide has a molecular weight of 265.35 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 918264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).