N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide

C21H31NO4 — CID 95777472

IUPACN-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide
SMILESCCOc1ccccc1O[C@@H]1CCC[C@@H]1NC(=O)CC[C@@H]1CCCCO1
InChIInChI=1S/C21H31NO4/c1-2-24-19-10-3-4-11-20(19)26-18-12-7-9-17(18)22-21(23)14-13-16-8-5-6-15-25-16/h3-4,10-11,16-18H,2,5-9,12-15H2,1H3,(H,22,23)/t16-,17-,18+/m0/s1
InChIKeyFYLGTANJAIURBY-OKZBNKHCSA-N
MW361.48 g/mol
LogP3.85
Rot. Bonds8

About N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide

N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide (PubChem CID 95777472) has the molecular formula C21H31NO4 and a molecular weight of 361.48 g/mol. Its IUPAC name is N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide
PubChem CID95777472
Molecular FormulaC21H31NO4
Molecular Weight361.48 g/mol
Exact Mass361.23
IUPAC NameN-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide
SMILESCCOc1ccccc1O[C@@H]1CCC[C@@H]1NC(=O)CC[C@@H]1CCCCO1
InChIInChI=1S/C21H31NO4/c1-2-24-19-10-3-4-11-20(19)26-18-12-7-9-17(18)22-21(23)14-13-16-8-5-6-15-25-16/h3-4,10-11,16-18H,2,5-9,12-15H2,1H3,(H,22,23)/t16-,17-,18+/m0/s1
InChIKeyFYLGTANJAIURBY-OKZBNKHCSA-N
XLogP3.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenoxy)cyclohexan-1-ol
CID 60878019
1-(4-ethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63952921
N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
CID 78781833
N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
CID 106367229
N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide
CID 71861380
N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 124860116
N-(2-bromocyclopentyl)-3-(oxolan-2-yl)propanamide
CID 80661636
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(oxan-2-yl)propanamide
CID 63952367
3-ethoxy-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 65161179
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide
CID 55605765
2-(2-ethoxyphenoxy)cyclopentan-1-amine
CID 16781253
4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide
CID 120576787

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide?
The IUPAC name of N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide (CID 95777472) is N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide.
What is the SMILES notation for N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide?
The canonical SMILES for N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide is CCOc1ccccc1O[C@@H]1CCC[C@@H]1NC(=O)CC[C@@H]1CCCCO1.
What is the InChIKey of N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide?
The InChIKey is FYLGTANJAIURBY-OKZBNKHCSA-N. The full InChI is InChI=1S/C21H31NO4/c1-2-24-19-10-3-4-11-20(19)26-18-12-7-9-17(18)22-21(23)14-13-16-8-5-6-15-25-16/h3-4,10-11,16-18H,2,5-9,12-15H2,1H3,(H,22,23)/t16-,17-,18+/m0/s1.
What are the key properties of N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide?
N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide has a molecular weight of 361.48 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]-3-[(2S)-oxan-2-yl]propanamide is sourced from PubChem (CID 95777472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).