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

C16H28N2O2 — CID 107407836

IUPACN-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
SMILESCCN(C(=O)CN1CCCC(C)(O)CC1)C1=CCCC1
InChIInChI=1S/C16H28N2O2/c1-3-18(14-7-4-5-8-14)15(19)13-17-11-6-9-16(2,20)10-12-17/h7,20H,3-6,8-13H2,1-2H3
InChIKeyLURRQGRFBGRGGN-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.14
Rot. Bonds4

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

N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide (PubChem CID 107407836) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
PubChem CID107407836
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
SMILESCCN(C(=O)CN1CCCC(C)(O)CC1)C1=CCCC1
InChIInChI=1S/C16H28N2O2/c1-3-18(14-7-4-5-8-14)15(19)13-17-11-6-9-16(2,20)10-12-17/h7,20H,3-6,8-13H2,1-2H3
InChIKeyLURRQGRFBGRGGN-UHFFFAOYSA-N
XLogP2.14
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide?
The IUPAC name of N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide (CID 107407836) is N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide.
What is the SMILES notation for N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide?
The canonical SMILES for N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide is CCN(C(=O)CN1CCCC(C)(O)CC1)C1=CCCC1.
What is the InChIKey of N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide?
The InChIKey is LURRQGRFBGRGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-18(14-7-4-5-8-14)15(19)13-17-11-6-9-16(2,20)10-12-17/h7,20H,3-6,8-13H2,1-2H3.
What are the key properties of N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide?
N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide has a molecular weight of 280.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide is sourced from PubChem (CID 107407836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).