(2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide

C19H29NO3 — CID 124835398

IUPAC(2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESCCc1ccc([C@H](C)NC(=O)[C@@H](C)OC[C@H]2CCCCO2)cc1
InChIInChI=1S/C19H29NO3/c1-4-16-8-10-17(11-9-16)14(2)20-19(21)15(3)23-13-18-7-5-6-12-22-18/h8-11,14-15,18H,4-7,12-13H2,1-3H3,(H,20,21)/t14-,15+,18+/m0/s1
InChIKeySHUHFCFDACYGLM-HDMKZQKVSA-N
MW319.45 g/mol
LogP3.40
Rot. Bonds7

About (2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide

(2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide (PubChem CID 124835398) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
PubChem CID124835398
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name(2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESCCc1ccc([C@H](C)NC(=O)[C@@H](C)OC[C@H]2CCCCO2)cc1
InChIInChI=1S/C19H29NO3/c1-4-16-8-10-17(11-9-16)14(2)20-19(21)15(3)23-13-18-7-5-6-12-22-18/h8-11,14-15,18H,4-7,12-13H2,1-3H3,(H,20,21)/t14-,15+,18+/m0/s1
InChIKeySHUHFCFDACYGLM-HDMKZQKVSA-N
XLogP3.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95325731
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95325759
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 100905654
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 95153393
N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898
methyl (2S)-2-[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]-3-phenylpropanoate
CID 95156285
(2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 98762105
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide
CID 100842096
2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid
CID 119224066
methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate
CID 79084595
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The IUPAC name of (2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide (CID 124835398) is (2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide is CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC[C@H]2CCCCO2)cc1.
What is the InChIKey of (2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The InChIKey is SHUHFCFDACYGLM-HDMKZQKVSA-N. The full InChI is InChI=1S/C19H29NO3/c1-4-16-8-10-17(11-9-16)14(2)20-19(21)15(3)23-13-18-7-5-6-12-22-18/h8-11,14-15,18H,4-7,12-13H2,1-3H3,(H,20,21)/t14-,15+,18+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
(2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide has a molecular weight of 319.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide is sourced from PubChem (CID 124835398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).