2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide

C15H27NO3 — CID 107301867

IUPAC2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
SMILESCC1OCCC1(O)CNC(=O)CC1CCCCCC1
InChIInChI=1S/C15H27NO3/c1-12-15(18,8-9-19-12)11-16-14(17)10-13-6-4-2-3-5-7-13/h12-13,18H,2-11H2,1H3,(H,16,17)
InChIKeyZRBCRXYUZQANML-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.00
Rot. Bonds4

About 2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide

2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide (PubChem CID 107301867) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
PubChem CID107301867
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
SMILESCC1OCCC1(O)CNC(=O)CC1CCCCCC1
InChIInChI=1S/C15H27NO3/c1-12-15(18,8-9-19-12)11-16-14(17)10-13-6-4-2-3-5-7-13/h12-13,18H,2-11H2,1H3,(H,16,17)
InChIKeyZRBCRXYUZQANML-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301509
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907
N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide
CID 106101003
2-[1-(aminomethyl)cyclobutyl]-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 114143583
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(methylamino)propanamide
CID 106101711
2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 111825728
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101708
4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 107302079
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
2-cyclohexyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849536

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The IUPAC name of 2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide (CID 107301867) is 2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide is CC1OCCC1(O)CNC(=O)CC1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The InChIKey is ZRBCRXYUZQANML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12-15(18,8-9-19-12)11-16-14(17)10-13-6-4-2-3-5-7-13/h12-13,18H,2-11H2,1H3,(H,16,17).
What are the key properties of 2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide has a molecular weight of 269.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 107301867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).