(2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide

C20H23N3O — CID 8515756

IUPAC(2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
SMILESCCc1ccc(CN(C)[C@H](C)C(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C20H23N3O/c1-4-16-9-11-17(12-10-16)14-23(3)15(2)20(24)22-19-8-6-5-7-18(19)13-21/h5-12,15H,4,14H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeyWDODCTMKAHCAGT-OAHLLOKOSA-N
MW321.42 g/mol
LogP3.58
Rot. Bonds6

About (2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide

(2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide (PubChem CID 8515756) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is (2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
PubChem CID8515756
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name(2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
SMILESCCc1ccc(CN(C)[C@H](C)C(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C20H23N3O/c1-4-16-9-11-17(12-10-16)14-23(3)15(2)20(24)22-19-8-6-5-7-18(19)13-21/h5-12,15H,4,14H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeyWDODCTMKAHCAGT-OAHLLOKOSA-N
XLogP3.58
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 51168320
N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 51168369
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide
CID 61422743
(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517865
N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395538
(2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102232
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 9298914
(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302665
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-cyanophenyl)propanamide
CID 17491400
N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide
CID 62860786
N-(2-cyanophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63866750

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide (CID 8515756) is (2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide is CCc1ccc(CN(C)[C@H](C)C(=O)Nc2ccccc2C#N)cc1.
What is the InChIKey of (2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide?
The InChIKey is WDODCTMKAHCAGT-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3O/c1-4-16-9-11-17(12-10-16)14-23(3)15(2)20(24)22-19-8-6-5-7-18(19)13-21/h5-12,15H,4,14H2,1-3H3,(H,22,24)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide?
(2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide has a molecular weight of 321.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 8515756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).