N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide

C16H23NO3 — CID 94186811

IUPACN-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)Cc1cccc(OC)c1
InChIInChI=1S/C16H23NO3/c1-3-17(11-14-7-8-20-12-14)16(18)10-13-5-4-6-15(9-13)19-2/h4-6,9,14H,3,7-8,10-12H2,1-2H3/t14-/m0/s1
InChIKeyBDNPMCHOKVNDFO-AWEZNQCLSA-N
MW277.36 g/mol
LogP2.12
Rot. Bonds6

About N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide

N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide (PubChem CID 94186811) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide
PubChem CID94186811
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)Cc1cccc(OC)c1
InChIInChI=1S/C16H23NO3/c1-3-17(11-14-7-8-20-12-14)16(18)10-13-5-4-6-15(9-13)19-2/h4-6,9,14H,3,7-8,10-12H2,1-2H3/t14-/m0/s1
InChIKeyBDNPMCHOKVNDFO-AWEZNQCLSA-N
XLogP2.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 94186944
1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
CID 86999387
3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61114635
N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide
CID 63395047
methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate
CID 61009469
N-ethyl-7-methoxy-2-methyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-3-carboxamide
CID 94799893
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
3-ethyl-2-[3-(3-methoxyphenyl)propyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386843
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
3-[(3-methoxyphenyl)methyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile
CID 95633268
3-[(3-methoxyphenyl)methyl-(oxolan-3-ylmethyl)amino]propanenitrile
CID 56794343
4-ethoxy-N-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 51098454

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide?
The IUPAC name of N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide (CID 94186811) is N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide.
What is the SMILES notation for N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide?
The canonical SMILES for N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide is CCN(C[C@@H]1CCOC1)C(=O)Cc1cccc(OC)c1.
What is the InChIKey of N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide?
The InChIKey is BDNPMCHOKVNDFO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-17(11-14-7-8-20-12-14)16(18)10-13-5-4-6-15(9-13)19-2/h4-6,9,14H,3,7-8,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide?
N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide has a molecular weight of 277.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 94186811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).