N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide

C17H32N2O2 — CID 122560196

IUPACN-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide
SMILESCC(C)(CN1CCCCCC1)NC(=O)C1CCC(O)CC1
InChIInChI=1S/C17H32N2O2/c1-17(2,13-19-11-5-3-4-6-12-19)18-16(21)14-7-9-15(20)10-8-14/h14-15,20H,3-13H2,1-2H3,(H,18,21)
InChIKeyPARYXYGQFZMJFW-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.31
Rot. Bonds4

About N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide

N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 122560196) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID122560196
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide
SMILESCC(C)(CN1CCCCCC1)NC(=O)C1CCC(O)CC1
InChIInChI=1S/C17H32N2O2/c1-17(2,13-19-11-5-3-4-6-12-19)18-16(21)14-7-9-15(20)10-8-14/h14-15,20H,3-13H2,1-2H3,(H,18,21)
InChIKeyPARYXYGQFZMJFW-UHFFFAOYSA-N
XLogP2.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide (CID 122560196) is N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide is CC(C)(CN1CCCCCC1)NC(=O)C1CCC(O)CC1.
What is the InChIKey of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is PARYXYGQFZMJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,13-19-11-5-3-4-6-12-19)18-16(21)14-7-9-15(20)10-8-14/h14-15,20H,3-13H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide?
N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 122560196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).