2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide

C15H27NO3 — CID 111825728

IUPAC2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESO=C(CC1CCCCCC1)NCC1(O)CCOCC1
InChIInChI=1S/C15H27NO3/c17-14(11-13-5-3-1-2-4-6-13)16-12-15(18)7-9-19-10-8-15/h13,18H,1-12H2,(H,16,17)
InChIKeyBQWIMHFVMDHMEM-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.00
Rot. Bonds4

About 2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide

2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (PubChem CID 111825728) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
PubChem CID111825728
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESO=C(CC1CCCCCC1)NCC1(O)CCOCC1
InChIInChI=1S/C15H27NO3/c17-14(11-13-5-3-1-2-4-6-13)16-12-15(18)7-9-19-10-8-15/h13,18H,1-12H2,(H,16,17)
InChIKeyBQWIMHFVMDHMEM-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-cyclohexyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849536
2-cyclobutyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849320
N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
CID 81130731
2-cyclobutyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 103164693
2-cyclopentyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 114760691
2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301867
2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide
CID 111486098
N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79209200
2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 81130546
4-cyclohexyl-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115643503
N-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide
CID 99809445
N-[(1-hydroxycyclobutyl)methyl]-2-(3-methylcyclohexyl)acetamide
CID 111463205

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The IUPAC name of 2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (CID 111825728) is 2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide is O=C(CC1CCCCCC1)NCC1(O)CCOCC1.
What is the InChIKey of 2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The InChIKey is BQWIMHFVMDHMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-14(11-13-5-3-1-2-4-6-13)16-12-15(18)7-9-19-10-8-15/h13,18H,1-12H2,(H,16,17).
What are the key properties of 2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
2-cycloheptyl-N-[(4-hydroxyoxan-4-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-[(4-hydroxyoxan-4-yl)methyl]acetamide is sourced from PubChem (CID 111825728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).