3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide

C18H29NO4 — CID 90523428

IUPAC3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
SMILESCCOc1ccc(C(=O)NCCC(O)C(C)(C)C)cc1OCC
InChIInChI=1S/C18H29NO4/c1-6-22-14-9-8-13(12-15(14)23-7-2)17(21)19-11-10-16(20)18(3,4)5/h8-9,12,16,20H,6-7,10-11H2,1-5H3,(H,19,21)
InChIKeyQTIVDUVBASELNX-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.01
Rot. Bonds8

About 3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide

3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide (PubChem CID 90523428) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
PubChem CID90523428
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
SMILESCCOc1ccc(C(=O)NCCC(O)C(C)(C)C)cc1OCC
InChIInChI=1S/C18H29NO4/c1-6-22-14-9-8-13(12-15(14)23-7-2)17(21)19-11-10-16(20)18(3,4)5/h8-9,12,16,20H,6-7,10-11H2,1-5H3,(H,19,21)
InChIKeyQTIVDUVBASELNX-UHFFFAOYSA-N
XLogP3.01
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide
CID 119498085
4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide
CID 95984599
3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658818
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523327
3,4-diethoxy-N-(5-hydroxypentyl)benzamide
CID 107319057
N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide
CID 71787595
3,4-diethoxy-N-pent-3-ynylbenzamide
CID 115977163
4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide
CID 103861912
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3,4-diethoxybenzamide
CID 121132476
N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide
CID 90523388
N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide
CID 119384376

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide?
The IUPAC name of 3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide (CID 90523428) is 3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide is CCOc1ccc(C(=O)NCCC(O)C(C)(C)C)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide?
The InChIKey is QTIVDUVBASELNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-6-22-14-9-8-13(12-15(14)23-7-2)17(21)19-11-10-16(20)18(3,4)5/h8-9,12,16,20H,6-7,10-11H2,1-5H3,(H,19,21).
What are the key properties of 3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide?
3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide has a molecular weight of 323.43 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide is sourced from PubChem (CID 90523428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).