(2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide

C22H26N2O2 — CID 9495057

IUPAC(2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)N2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-3-26-21-11-9-20(10-12-21)23-22(25)17(2)24-15-13-19(14-16-24)18-7-5-4-6-8-18/h4-13,17H,3,14-16H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyNOPIXWGUXCVCCI-KRWDZBQOSA-N
MW350.46 g/mol
LogP4.20
Rot. Bonds6

About (2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide

(2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide (PubChem CID 9495057) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
PubChem CID9495057
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)N2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-3-26-21-11-9-20(10-12-21)23-22(25)17(2)24-15-13-19(14-16-24)18-7-5-4-6-8-18/h4-13,17H,3,14-16H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyNOPIXWGUXCVCCI-KRWDZBQOSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906958
N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 55432378
(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446065
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 9249754
(2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 8513088
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495104
(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275461
N-(4-ethoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanamide
CID 55511224
1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 46444408
tert-butyl N-[1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 55841773
(2R)-2-bromo-N-(4-ethoxyphenyl)-3-methylbutanamide
CID 7079963
3-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 82194766

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The IUPAC name of (2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide (CID 9495057) is (2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide is CCOc1ccc(NC(=O)[C@H](C)N2CC=C(c3ccccc3)CC2)cc1.
What is the InChIKey of (2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The InChIKey is NOPIXWGUXCVCCI-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-26-21-11-9-20(10-12-21)23-22(25)17(2)24-15-13-19(14-16-24)18-7-5-4-6-8-18/h4-13,17H,3,14-16H2,1-2H3,(H,23,25)/t17-/m0/s1.
What are the key properties of (2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
(2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide has a molecular weight of 350.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide is sourced from PubChem (CID 9495057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).