(2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide

C18H28N2O2 — CID 124864289

IUPAC(2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)N[C@H]1CCC[C@H]1CC
InChIInChI=1S/C18H28N2O2/c1-4-14-9-8-11-15(14)19-13(3)18(21)20-16-10-6-7-12-17(16)22-5-2/h6-7,10,12-15,19H,4-5,8-9,11H2,1-3H3,(H,20,21)/t13-,14+,15-/m0/s1
InChIKeyXKFDCSDXMAMYEP-ZNMIVQPWSA-N
MW304.43 g/mol
LogP3.58
Rot. Bonds7

About (2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide

(2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide (PubChem CID 124864289) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide
PubChem CID124864289
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)N[C@H]1CCC[C@H]1CC
InChIInChI=1S/C18H28N2O2/c1-4-14-9-8-11-15(14)19-13(3)18(21)20-16-10-6-7-12-17(16)22-5-2/h6-7,10,12-15,19H,4-5,8-9,11H2,1-3H3,(H,20,21)/t13-,14+,15-/m0/s1
InChIKeyXKFDCSDXMAMYEP-ZNMIVQPWSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide with MolForge

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Related Compounds

(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-ethoxyphenyl)propanamide
CID 87040089
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
(2R)-2-acetamido-2-cyclopentyl-N-(2-ethoxyphenyl)acetamide
CID 40938974
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11923114
cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium
CID 8967736
1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea
CID 97347731
2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
(2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 51925561
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate
CID 46621239
(2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275560
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide?
The IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide (CID 124864289) is (2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide?
The canonical SMILES for (2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide is CCOc1ccccc1NC(=O)[C@H](C)N[C@H]1CCC[C@H]1CC.
What is the InChIKey of (2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide?
The InChIKey is XKFDCSDXMAMYEP-ZNMIVQPWSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-14-9-8-11-15(14)19-13(3)18(21)20-16-10-6-7-12-17(16)22-5-2/h6-7,10,12-15,19H,4-5,8-9,11H2,1-3H3,(H,20,21)/t13-,14+,15-/m0/s1.
What are the key properties of (2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide?
(2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide has a molecular weight of 304.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethoxyphenyl)-2-[[(1S,2R)-2-ethylcyclopentyl]amino]propanamide is sourced from PubChem (CID 124864289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).