(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide

C20H23N3O2 — CID 8008538

IUPAC(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
SMILESCCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C20H23N3O2/c1-4-25-19-10-8-16(9-11-19)14-23(3)15(2)20(24)22-18-7-5-6-17(12-18)13-21/h5-12,15H,4,14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyZRPVJUKEOHFSGP-HNNXBMFYSA-N
MW337.42 g/mol
LogP3.42
Rot. Bonds7

About (2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide

(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide (PubChem CID 8008538) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
PubChem CID8008538
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
SMILESCCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C20H23N3O2/c1-4-25-19-10-8-16(9-11-19)14-23(3)15(2)20(24)22-18-7-5-6-17(12-18)13-21/h5-12,15H,4,14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyZRPVJUKEOHFSGP-HNNXBMFYSA-N
XLogP3.42
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494784
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
(2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 9432176
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 8747232
2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494913
N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985825
(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
(2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102045
N-[(2R)-1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 40742445

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of (2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide (CID 8008538) is (2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide is CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of (2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is ZRPVJUKEOHFSGP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-25-19-10-8-16(9-11-19)14-23(3)15(2)20(24)22-18-7-5-6-17(12-18)13-21/h5-12,15H,4,14H2,1-3H3,(H,22,24)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 337.42 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 8008538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).