(2S)-N-(4-hydroxycyclohexyl)-1-methylazepane-2-carboxamide

C14H26N2O2 — CID 164639077

IUPAC(2S)-N-(4-hydroxycyclohexyl)-1-methylazepane-2-carboxamide
SMILESCN1CCCCC[C@H]1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C14H26N2O2/c1-16-10-4-2-3-5-13(16)14(18)15-11-6-8-12(17)9-7-11/h11-13,17H,2-10H2,1H3,(H,15,18)/t11?,12?,13-/m0/s1
InChIKeyLFNUILXQKSYECC-BPCQOVAHSA-N
MW254.37 g/mol
LogP1.28
Rot. Bonds2

About (2S)-N-(4-hydroxycyclohexyl)-1-methylazepane-2-carboxamide

(2S)-N-(4-hydroxycyclohexyl)-1-methylazepane-2-carboxamide (PubChem CID 164639077) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S)-N-(4-hydroxycyclohexyl)-1-methylazepane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-hydroxycyclohexyl)-1-methylazepane-2-carboxamide
PubChem CID164639077
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2S)-N-(4-hydroxycyclohexyl)-1-methylazepane-2-carboxamide
SMILESCN1CCCCC[C@H]1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C14H26N2O2/c1-16-10-4-2-3-5-13(16)14(18)15-11-6-8-12(17)9-7-11/h11-13,17H,2-10H2,1H3,(H,15,18)/t11?,12?,13-/m0/s1
InChIKeyLFNUILXQKSYECC-BPCQOVAHSA-N
XLogP1.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-hydroxycyclohexyl)-1-methylazepane-2-carboxamide?
The IUPAC name of (2S)-N-(4-hydroxycyclohexyl)-1-methylazepane-2-carboxamide (CID 164639077) is (2S)-N-(4-hydroxycyclohexyl)-1-methylazepane-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-hydroxycyclohexyl)-1-methylazepane-2-carboxamide?
The canonical SMILES for (2S)-N-(4-hydroxycyclohexyl)-1-methylazepane-2-carboxamide is CN1CCCCC[C@H]1C(=O)NC1CCC(O)CC1.
What is the InChIKey of (2S)-N-(4-hydroxycyclohexyl)-1-methylazepane-2-carboxamide?
The InChIKey is LFNUILXQKSYECC-BPCQOVAHSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-16-10-4-2-3-5-13(16)14(18)15-11-6-8-12(17)9-7-11/h11-13,17H,2-10H2,1H3,(H,15,18)/t11?,12?,13-/m0/s1.
What are the key properties of (2S)-N-(4-hydroxycyclohexyl)-1-methylazepane-2-carboxamide?
(2S)-N-(4-hydroxycyclohexyl)-1-methylazepane-2-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-hydroxycyclohexyl)-1-methylazepane-2-carboxamide is sourced from PubChem (CID 164639077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).