(2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide

C19H28N2O3 — CID 97219077

IUPAC(2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide
SMILESCOC[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2C[C@@H]2c2cccc(C)c2)CCO1
InChIInChI=1S/C19H28N2O3/c1-13-5-4-6-15(9-13)18-10-17(18)14(2)20-19(22)21-7-8-24-16(11-21)12-23-3/h4-6,9,14,16-18H,7-8,10-12H2,1-3H3,(H,20,22)/t14-,16+,17+,18-/m1/s1
InChIKeyXMFFFXRMKAIOEV-LAVFITLUSA-N
MW332.44 g/mol
LogP2.54
Rot. Bonds5

About (2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide

(2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide (PubChem CID 97219077) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide
PubChem CID97219077
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide
SMILESCOC[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2C[C@@H]2c2cccc(C)c2)CCO1
InChIInChI=1S/C19H28N2O3/c1-13-5-4-6-15(9-13)18-10-17(18)14(2)20-19(22)21-7-8-24-16(11-21)12-23-3/h4-6,9,14,16-18H,7-8,10-12H2,1-3H3,(H,20,22)/t14-,16+,17+,18-/m1/s1
InChIKeyXMFFFXRMKAIOEV-LAVFITLUSA-N
XLogP2.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-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 (2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide (CID 97219077) is (2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide is COC[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2C[C@@H]2c2cccc(C)c2)CCO1.
What is the InChIKey of (2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide?
The InChIKey is XMFFFXRMKAIOEV-LAVFITLUSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-5-4-6-15(9-13)18-10-17(18)14(2)20-19(22)21-7-8-24-16(11-21)12-23-3/h4-6,9,14,16-18H,7-8,10-12H2,1-3H3,(H,20,22)/t14-,16+,17+,18-/m1/s1.
What are the key properties of (2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide?
(2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 97219077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).