(2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-carboxamide

C20H30N2O5 — CID 67541956

IUPAC(2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-carboxamide
SMILESCOCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)ccc1OC
InChIInChI=1S/C20H30N2O5/c1-24-9-3-10-26-18-12-15(4-7-17(18)25-2)14-22(16-5-6-16)20(23)19-13-21-8-11-27-19/h4,7,12,16,19,21H,3,5-6,8-11,13-14H2,1-2H3/t19-/m1/s1
InChIKeyKZBIKFBHOIUTGI-LJQANCHMSA-N
MW378.47 g/mol
LogP1.59
Rot. Bonds10

About (2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-carboxamide (PubChem CID 67541956) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-carboxamide
PubChem CID67541956
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name(2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-carboxamide
SMILESCOCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)ccc1OC
InChIInChI=1S/C20H30N2O5/c1-24-9-3-10-26-18-12-15(4-7-17(18)25-2)14-22(16-5-6-16)20(23)19-13-21-8-11-27-19/h4,7,12,16,19,21H,3,5-6,8-11,13-14H2,1-2H3/t19-/m1/s1
InChIKeyKZBIKFBHOIUTGI-LJQANCHMSA-N
XLogP1.59
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-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 (2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-carboxamide (CID 67541956) is (2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-carboxamide is COCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)ccc1OC.
What is the InChIKey of (2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-carboxamide?
The InChIKey is KZBIKFBHOIUTGI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-24-9-3-10-26-18-12-15(4-7-17(18)25-2)14-22(16-5-6-16)20(23)19-13-21-8-11-27-19/h4,7,12,16,19,21H,3,5-6,8-11,13-14H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 67541956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).