2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide

C20H29NO3 — CID 75388123

IUPAC2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide
SMILESO=C(CC1(O)CCCCC1)NC(CC1CCOC1)c1ccccc1
InChIInChI=1S/C20H29NO3/c22-19(14-20(23)10-5-2-6-11-20)21-18(13-16-9-12-24-15-16)17-7-3-1-4-8-17/h1,3-4,7-8,16,18,23H,2,5-6,9-15H2,(H,21,22)
InChIKeySOYVLTZTCSZVNV-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.36
Rot. Bonds6

About 2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide

2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide (PubChem CID 75388123) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide
PubChem CID75388123
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide
SMILESO=C(CC1(O)CCCCC1)NC(CC1CCOC1)c1ccccc1
InChIInChI=1S/C20H29NO3/c22-19(14-20(23)10-5-2-6-11-20)21-18(13-16-9-12-24-15-16)17-7-3-1-4-8-17/h1,3-4,7-8,16,18,23H,2,5-6,9-15H2,(H,21,22)
InChIKeySOYVLTZTCSZVNV-UHFFFAOYSA-N
XLogP3.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-(1-hydroxycyclopentyl)acetamide
CID 111430201
N-[cyclobutyl(phenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538084
4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 97241141
(2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide
CID 120640059
1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea
CID 166181225
1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 110012921
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]urea
CID 97240996
(3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide
CID 97241109
2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-phenylacetamide
CID 111430361
(2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide
CID 124624923
1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea
CID 87000160
1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea
CID 146107558

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide (CID 75388123) is 2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide is O=C(CC1(O)CCCCC1)NC(CC1CCOC1)c1ccccc1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide?
The InChIKey is SOYVLTZTCSZVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c22-19(14-20(23)10-5-2-6-11-20)21-18(13-16-9-12-24-15-16)17-7-3-1-4-8-17/h1,3-4,7-8,16,18,23H,2,5-6,9-15H2,(H,21,22).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide is sourced from PubChem (CID 75388123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).