N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide

C15H20N2O3 — CID 47087147

IUPACN-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(C)CC#N)cc1OCC
InChIInChI=1S/C15H20N2O3/c1-4-19-13-7-6-12(10-14(13)20-5-2)15(18)17-11(3)8-9-16/h6-7,10-11H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyFVZOHFQMVNZPOB-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.52
Rot. Bonds7

About N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide

N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide (PubChem CID 47087147) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide
PubChem CID47087147
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(C)CC#N)cc1OCC
InChIInChI=1S/C15H20N2O3/c1-4-19-13-7-6-12(10-14(13)20-5-2)15(18)17-11(3)8-9-16/h6-7,10-11H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyFVZOHFQMVNZPOB-UHFFFAOYSA-N
XLogP2.52
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
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N-[(2S)-1-cyanopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 94346399
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
N-(1-cyanopropan-2-yl)-3,4-dihydroxybenzamide
CID 103956790
N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide
CID 70989891
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide
CID 120504957
N-(2-cyanopropyl)-3,4-diethoxybenzamide
CID 62653111
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
N-(1-cyanopropan-2-yl)-3,4,5-trimethoxybenzamide
CID 62090267
4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide
CID 103872840

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide (CID 47087147) is N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NC(C)CC#N)cc1OCC.
What is the InChIKey of N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide?
The InChIKey is FVZOHFQMVNZPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-19-13-7-6-12(10-14(13)20-5-2)15(18)17-11(3)8-9-16/h6-7,10-11H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide?
N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide has a molecular weight of 276.34 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide is sourced from PubChem (CID 47087147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).