(2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide

C18H27N3O4 — CID 125138664

IUPAC(2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide
SMILESCCCOc1ccc(CNC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)c(C)c1
InChIInChI=1S/C18H27N3O4/c1-4-7-24-15-6-5-14(12(2)8-15)9-20-18(23)21-10-13(3)25-16(11-21)17(19)22/h5-6,8,13,16H,4,7,9-11H2,1-3H3,(H2,19,22)(H,20,23)/t13-,16-/m1/s1
InChIKeyZKLSIEZJWIMXQO-CZUORRHYSA-N
MW349.43 g/mol
LogP1.57
Rot. Bonds6

About (2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide

(2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide (PubChem CID 125138664) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide.

Molecular Properties

Compound Name(2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide
PubChem CID125138664
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name(2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide
SMILESCCCOc1ccc(CNC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)c(C)c1
InChIInChI=1S/C18H27N3O4/c1-4-7-24-15-6-5-14(12(2)8-15)9-20-18(23)21-10-13(3)25-16(11-21)17(19)22/h5-6,8,13,16H,4,7,9-11H2,1-3H3,(H2,19,22)(H,20,23)/t13-,16-/m1/s1
InChIKeyZKLSIEZJWIMXQO-CZUORRHYSA-N
XLogP1.57
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide 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,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide?
The IUPAC name of (2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide (CID 125138664) is (2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide.
What is the SMILES notation for (2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide?
The canonical SMILES for (2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide is CCCOc1ccc(CNC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)c(C)c1.
What is the InChIKey of (2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide?
The InChIKey is ZKLSIEZJWIMXQO-CZUORRHYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-4-7-24-15-6-5-14(12(2)8-15)9-20-18(23)21-10-13(3)25-16(11-21)17(19)22/h5-6,8,13,16H,4,7,9-11H2,1-3H3,(H2,19,22)(H,20,23)/t13-,16-/m1/s1.
What are the key properties of (2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide?
(2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide has a molecular weight of 349.43 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide is sourced from PubChem (CID 125138664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).