(2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide

C20H30N2O3 — CID 96517468

IUPAC(2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCCCC1)N1CCO[C@@H](CO)C1
InChIInChI=1S/C20H30N2O3/c23-15-18-14-22(12-13-25-18)19(24)21-16-20(10-6-1-2-7-11-20)17-8-4-3-5-9-17/h3-5,8-9,18,23H,1-2,6-7,10-16H2,(H,21,24)/t18-/m1/s1
InChIKeyUGQIZZLEYAIGFY-GOSISDBHSA-N
MW346.47 g/mol
LogP2.68
Rot. Bonds4

About (2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide

(2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide (PubChem CID 96517468) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide
PubChem CID96517468
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCCCC1)N1CCO[C@@H](CO)C1
InChIInChI=1S/C20H30N2O3/c23-15-18-14-22(12-13-25-18)19(24)21-16-20(10-6-1-2-7-11-20)17-8-4-3-5-9-17/h3-5,8-9,18,23H,1-2,6-7,10-16H2,(H,21,24)/t18-/m1/s1
InChIKeyUGQIZZLEYAIGFY-GOSISDBHSA-N
XLogP2.68
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide (CID 96517468) is (2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide is O=C(NCC1(c2ccccc2)CCCCCC1)N1CCO[C@@H](CO)C1.
What is the InChIKey of (2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide?
The InChIKey is UGQIZZLEYAIGFY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-15-18-14-22(12-13-25-18)19(24)21-16-20(10-6-1-2-7-11-20)17-8-4-3-5-9-17/h3-5,8-9,18,23H,1-2,6-7,10-16H2,(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide?
(2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-N-[(1-phenylcycloheptyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 96517468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).