4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide

C19H21N3O2 — CID 26750941

IUPAC4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@H](CNC(=O)c1ccc(C#N)cc1)N(C)C
InChIInChI=1S/C19H21N3O2/c1-22(2)17(16-6-4-5-7-18(16)24-3)13-21-19(23)15-10-8-14(12-20)9-11-15/h4-11,17H,13H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyIQAAZRAKSKCLRW-KRWDZBQOSA-N
MW323.40 g/mol
LogP2.60
Rot. Bonds6

About 4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide

4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 26750941) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID26750941
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@H](CNC(=O)c1ccc(C#N)cc1)N(C)C
InChIInChI=1S/C19H21N3O2/c1-22(2)17(16-6-4-5-7-18(16)24-3)13-21-19(23)15-10-8-14(12-20)9-11-15/h4-11,17H,13H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyIQAAZRAKSKCLRW-KRWDZBQOSA-N
XLogP2.60
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31322515
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55350130
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 31322613
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 55521571
3,4-dichloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 17458646
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226
4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 46654174
4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719116
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 78799517
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-ethoxypyridine-3-carboxamide
CID 87002114
4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 46522380

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide (CID 26750941) is 4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1[C@H](CNC(=O)c1ccc(C#N)cc1)N(C)C.
What is the InChIKey of 4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is IQAAZRAKSKCLRW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-22(2)17(16-6-4-5-7-18(16)24-3)13-21-19(23)15-10-8-14(12-20)9-11-15/h4-11,17H,13H2,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of 4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 26750941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).