(2R)-N-(dicyclopentylmethyl)-2-(hydroxymethyl)morpholine-4-carboxamide

C17H30N2O3 — CID 97080221

IUPAC(2R)-N-(dicyclopentylmethyl)-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESO=C(NC(C1CCCC1)C1CCCC1)N1CCO[C@@H](CO)C1
InChIInChI=1S/C17H30N2O3/c20-12-15-11-19(9-10-22-15)17(21)18-16(13-5-1-2-6-13)14-7-3-4-8-14/h13-16,20H,1-12H2,(H,18,21)/t15-/m1/s1
InChIKeyBHJNEQDHJSBLPC-OAHLLOKOSA-N
MW310.44 g/mol
LogP2.14
Rot. Bonds4

About (2R)-N-(dicyclopentylmethyl)-2-(hydroxymethyl)morpholine-4-carboxamide

(2R)-N-(dicyclopentylmethyl)-2-(hydroxymethyl)morpholine-4-carboxamide (PubChem CID 97080221) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is (2R)-N-(dicyclopentylmethyl)-2-(hydroxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-(dicyclopentylmethyl)-2-(hydroxymethyl)morpholine-4-carboxamide
PubChem CID97080221
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name(2R)-N-(dicyclopentylmethyl)-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESO=C(NC(C1CCCC1)C1CCCC1)N1CCO[C@@H](CO)C1
InChIInChI=1S/C17H30N2O3/c20-12-15-11-19(9-10-22-15)17(21)18-16(13-5-1-2-6-13)14-7-3-4-8-14/h13-16,20H,1-12H2,(H,18,21)/t15-/m1/s1
InChIKeyBHJNEQDHJSBLPC-OAHLLOKOSA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(dicyclopentylmethyl)-2-(hydroxymethyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-(dicyclopentylmethyl)-2-(hydroxymethyl)morpholine-4-carboxamide (CID 97080221) is (2R)-N-(dicyclopentylmethyl)-2-(hydroxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-(dicyclopentylmethyl)-2-(hydroxymethyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-(dicyclopentylmethyl)-2-(hydroxymethyl)morpholine-4-carboxamide is O=C(NC(C1CCCC1)C1CCCC1)N1CCO[C@@H](CO)C1.
What is the InChIKey of (2R)-N-(dicyclopentylmethyl)-2-(hydroxymethyl)morpholine-4-carboxamide?
The InChIKey is BHJNEQDHJSBLPC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H30N2O3/c20-12-15-11-19(9-10-22-15)17(21)18-16(13-5-1-2-6-13)14-7-3-4-8-14/h13-16,20H,1-12H2,(H,18,21)/t15-/m1/s1.
What are the key properties of (2R)-N-(dicyclopentylmethyl)-2-(hydroxymethyl)morpholine-4-carboxamide?
(2R)-N-(dicyclopentylmethyl)-2-(hydroxymethyl)morpholine-4-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(dicyclopentylmethyl)-2-(hydroxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 97080221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).