2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide

C18H27NO3 — CID 27233661

IUPAC2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
SMILESCCc1ccc(OC(C)(C)C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1
InChIInChI=1S/C18H27NO3/c1-5-14-8-10-15(11-9-14)22-18(3,4)17(20)19-13(2)16-7-6-12-21-16/h8-11,13,16H,5-7,12H2,1-4H3,(H,19,20)/t13-,16-/m0/s1
InChIKeyUAGUFRPRAGTPGN-BBRMVZONSA-N
MW305.42 g/mol
LogP3.09
Rot. Bonds6

About 2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide

2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide (PubChem CID 27233661) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
PubChem CID27233661
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
SMILESCCc1ccc(OC(C)(C)C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1
InChIInChI=1S/C18H27NO3/c1-5-14-8-10-15(11-9-14)22-18(3,4)17(20)19-13(2)16-7-6-12-21-16/h8-11,13,16H,5-7,12H2,1-4H3,(H,19,20)/t13-,16-/m0/s1
InChIKeyUAGUFRPRAGTPGN-BBRMVZONSA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 6469922
2-(2,5-dichlorophenoxy)-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 42562997
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
2-hydroxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104936605
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
CID 43310101
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 63590874
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
CID 35273707
2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 40636423

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
The IUPAC name of 2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide (CID 27233661) is 2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide is CCc1ccc(OC(C)(C)C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
The InChIKey is UAGUFRPRAGTPGN-BBRMVZONSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-14-8-10-15(11-9-14)22-18(3,4)17(20)19-13(2)16-7-6-12-21-16/h8-11,13,16H,5-7,12H2,1-4H3,(H,19,20)/t13-,16-/m0/s1.
What are the key properties of 2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide has a molecular weight of 305.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide is sourced from PubChem (CID 27233661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).