N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide

C17H30N2O2 — CID 107408318

IUPACN-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
SMILESCCN(C(=O)CN1CCCC(C)(O)CC1)C1=CCCCC1
InChIInChI=1S/C17H30N2O2/c1-3-19(15-8-5-4-6-9-15)16(20)14-18-12-7-10-17(2,21)11-13-18/h8,21H,3-7,9-14H2,1-2H3
InChIKeyUPWDEHSPWOCGOS-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.53
Rot. Bonds4

About N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide

N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide (PubChem CID 107408318) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
PubChem CID107408318
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
SMILESCCN(C(=O)CN1CCCC(C)(O)CC1)C1=CCCCC1
InChIInChI=1S/C17H30N2O2/c1-3-19(15-8-5-4-6-9-15)16(20)14-18-12-7-10-17(2,21)11-13-18/h8,21H,3-7,9-14H2,1-2H3
InChIKeyUPWDEHSPWOCGOS-UHFFFAOYSA-N
XLogP2.53
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide (CID 107408318) is N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide is CCN(C(=O)CN1CCCC(C)(O)CC1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide?
The InChIKey is UPWDEHSPWOCGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-19(15-8-5-4-6-9-15)16(20)14-18-12-7-10-17(2,21)11-13-18/h8,21H,3-7,9-14H2,1-2H3.
What are the key properties of N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide?
N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide has a molecular weight of 294.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide is sourced from PubChem (CID 107408318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).