4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide

C20H22N2O3 — CID 7936479

IUPAC4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2ccc(C#N)cc2)cc1OCC
InChIInChI=1S/C20H22N2O3/c1-4-24-18-11-10-17(12-19(18)25-5-2)14(3)22-20(23)16-8-6-15(13-21)7-9-16/h6-12,14H,4-5H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyOGZAEBRLWDPZGX-AWEZNQCLSA-N
MW338.41 g/mol
LogP3.85
Rot. Bonds7

About 4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide

4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide (PubChem CID 7936479) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide
PubChem CID7936479
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2ccc(C#N)cc2)cc1OCC
InChIInChI=1S/C20H22N2O3/c1-4-24-18-11-10-17(12-19(18)25-5-2)14(3)22-20(23)16-8-6-15(13-21)7-9-16/h6-12,14H,4-5H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyOGZAEBRLWDPZGX-AWEZNQCLSA-N
XLogP3.85
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8620540
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 17459758
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide
CID 46415111
3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
CID 46414728
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705940

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide (CID 7936479) is 4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide is CCOc1ccc([C@H](C)NC(=O)c2ccc(C#N)cc2)cc1OCC.
What is the InChIKey of 4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide?
The InChIKey is OGZAEBRLWDPZGX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-24-18-11-10-17(12-19(18)25-5-2)14(3)22-20(23)16-8-6-15(13-21)7-9-16/h6-12,14H,4-5H2,1-3H3,(H,22,23)/t14-/m0/s1.
What are the key properties of 4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide?
4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 7936479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).