2-cyclohexyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide

C21H31NO2 — CID 53165510

IUPAC2-cyclohexyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide
SMILESO=C(CC1CCCCC1)NCC1(c2ccccc2)CCCOCC1
InChIInChI=1S/C21H31NO2/c23-20(16-18-8-3-1-4-9-18)22-17-21(12-7-14-24-15-13-21)19-10-5-2-6-11-19/h2,5-6,10-11,18H,1,3-4,7-9,12-17H2,(H,22,23)
InChIKeyAEURVODRIVSFHA-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.21
Rot. Bonds5

About 2-cyclohexyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide

2-cyclohexyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide (PubChem CID 53165510) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide
PubChem CID53165510
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name2-cyclohexyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide
SMILESO=C(CC1CCCCC1)NCC1(c2ccccc2)CCCOCC1
InChIInChI=1S/C21H31NO2/c23-20(16-18-8-3-1-4-9-18)22-17-21(12-7-14-24-15-13-21)19-10-5-2-6-11-19/h2,5-6,10-11,18H,1,3-4,7-9,12-17H2,(H,22,23)
InChIKeyAEURVODRIVSFHA-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide (CID 53165510) is 2-cyclohexyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide is O=C(CC1CCCCC1)NCC1(c2ccccc2)CCCOCC1.
What is the InChIKey of 2-cyclohexyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide?
The InChIKey is AEURVODRIVSFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c23-20(16-18-8-3-1-4-9-18)22-17-21(12-7-14-24-15-13-21)19-10-5-2-6-11-19/h2,5-6,10-11,18H,1,3-4,7-9,12-17H2,(H,22,23).
What are the key properties of 2-cyclohexyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide?
2-cyclohexyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide has a molecular weight of 329.48 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(4-phenyloxepan-4-yl)methyl]acetamide is sourced from PubChem (CID 53165510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).