3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide

C22H31N3O3 — CID 39515028

IUPAC3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
SMILESO=C(NCCN1CCCCCC1=O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C22H31N3O3/c26-20-12-5-2-6-14-25(20)15-13-23-21(27)18-10-7-11-19(16-18)24-22(28)17-8-3-1-4-9-17/h7,10-11,16-17H,1-6,8-9,12-15H2,(H,23,27)(H,24,28)
InChIKeyDXEZXACTCLRFEH-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.34
Rot. Bonds6

About 3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide

3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide (PubChem CID 39515028) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
PubChem CID39515028
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
SMILESO=C(NCCN1CCCCCC1=O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C22H31N3O3/c26-20-12-5-2-6-14-25(20)15-13-23-21(27)18-10-7-11-19(16-18)24-22(28)17-8-3-1-4-9-17/h7,10-11,16-17H,1-6,8-9,12-15H2,(H,23,27)(H,24,28)
InChIKeyDXEZXACTCLRFEH-UHFFFAOYSA-N
XLogP3.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide?
The IUPAC name of 3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide (CID 39515028) is 3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide?
The canonical SMILES for 3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide is O=C(NCCN1CCCCCC1=O)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide?
The InChIKey is DXEZXACTCLRFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c26-20-12-5-2-6-14-25(20)15-13-23-21(27)18-10-7-11-19(16-18)24-22(28)17-8-3-1-4-9-17/h7,10-11,16-17H,1-6,8-9,12-15H2,(H,23,27)(H,24,28).
What are the key properties of 3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide?
3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide has a molecular weight of 385.51 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide is sourced from PubChem (CID 39515028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).