2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide

C15H25NO2 — CID 106121943

IUPAC2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(CC1=CCCCC1)NCC1CCC(O)CC1
InChIInChI=1S/C15H25NO2/c17-14-8-6-13(7-9-14)11-16-15(18)10-12-4-2-1-3-5-12/h4,13-14,17H,1-3,5-11H2,(H,16,18)
InChIKeyKVYNBKHXVPAQTE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.54
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide

2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide (PubChem CID 106121943) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
PubChem CID106121943
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(CC1=CCCCC1)NCC1CCC(O)CC1
InChIInChI=1S/C15H25NO2/c17-14-8-6-13(7-9-14)11-16-15(18)10-12-4-2-1-3-5-12/h4,13-14,17H,1-3,5-11H2,(H,16,18)
InChIKeyKVYNBKHXVPAQTE-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 142231220
N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 106137813
2-(cyclohexen-1-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111433969
2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 56704984
2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide
CID 63563665
N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998
2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide
CID 110022186
1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one
CID 116659708
2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide
CID 142228886
N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide
CID 106137809
2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106123755
2-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopentane-1-carboxamide
CID 71989735

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide (CID 106121943) is 2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide is O=C(CC1=CCCCC1)NCC1CCC(O)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is KVYNBKHXVPAQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-14-8-6-13(7-9-14)11-16-15(18)10-12-4-2-1-3-5-12/h4,13-14,17H,1-3,5-11H2,(H,16,18).
What are the key properties of 2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 251.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 106121943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).