3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide

C17H24ClNO2 — CID 91786141

IUPAC3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide
SMILESCCN(CC1CCCCO1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C17H24ClNO2/c1-2-19(13-15-8-5-6-12-21-15)17(20)11-10-14-7-3-4-9-16(14)18/h3-4,7,9,15H,2,5-6,8,10-13H2,1H3
InChIKeyXXEWNNMIKSIVBV-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.69
Rot. Bonds6

About 3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide

3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide (PubChem CID 91786141) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide
PubChem CID91786141
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide
SMILESCCN(CC1CCCCO1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C17H24ClNO2/c1-2-19(13-15-8-5-6-12-21-15)17(20)11-10-14-7-3-4-9-16(14)18/h3-4,7,9,15H,2,5-6,8,10-13H2,1H3
InChIKeyXXEWNNMIKSIVBV-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733181
N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42393532
3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide
CID 51113060
4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide
CID 60568779
N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
CID 107024574
2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide
CID 91764944
N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 61435069
N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide
CID 91841175
N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 46985309
N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-2-ylpropanamide
CID 62211639
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61435349
2-chloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120008

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide (CID 91786141) is 3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide is CCN(CC1CCCCO1)C(=O)CCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide?
The InChIKey is XXEWNNMIKSIVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-2-19(13-15-8-5-6-12-21-15)17(20)11-10-14-7-3-4-9-16(14)18/h3-4,7,9,15H,2,5-6,8,10-13H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide?
3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide has a molecular weight of 309.84 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide is sourced from PubChem (CID 91786141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).