3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide

C14H21NO4 — CID 43418840

IUPAC3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)CO)cc1OCC
InChIInChI=1S/C14H21NO4/c1-4-18-12-7-6-11(8-13(12)19-5-2)14(17)15-10(3)9-16/h6-8,10,16H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyCUDIHGXQZJERKJ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.59
Rot. Bonds7

About 3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide

3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 43418840) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID43418840
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)CO)cc1OCC
InChIInChI=1S/C14H21NO4/c1-4-18-12-7-6-11(8-13(12)19-5-2)14(17)15-10(3)9-16/h6-8,10,16H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyCUDIHGXQZJERKJ-UHFFFAOYSA-N
XLogP1.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59910538
N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide
CID 47087147
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
4-butoxy-N-(1-hydroxypropan-2-yl)-3-methoxybenzamide
CID 78856853
N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide
CID 120504957
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide
CID 70989891
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
CID 79732831

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide (CID 43418840) is 3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide is CCOc1ccc(C(=O)NC(C)CO)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is CUDIHGXQZJERKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-18-12-7-6-11(8-13(12)19-5-2)14(17)15-10(3)9-16/h6-8,10,16H,4-5,9H2,1-3H3,(H,15,17).
What are the key properties of 3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide?
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 267.32 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 43418840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).