(2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide

C17H26N2O3 — CID 99858293

IUPAC(2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide
SMILESCOCCCN(C)C(=O)N1CCO[C@H](c2ccccc2C)C1
InChIInChI=1S/C17H26N2O3/c1-14-7-4-5-8-15(14)16-13-19(10-12-22-16)17(20)18(2)9-6-11-21-3/h4-5,7-8,16H,6,9-13H2,1-3H3/t16-/m0/s1
InChIKeyRJOLPVNVIPSQKT-INIZCTEOSA-N
MW306.41 g/mol
LogP2.46
Rot. Bonds5

About (2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide

(2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide (PubChem CID 99858293) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide
PubChem CID99858293
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide
SMILESCOCCCN(C)C(=O)N1CCO[C@H](c2ccccc2C)C1
InChIInChI=1S/C17H26N2O3/c1-14-7-4-5-8-15(14)16-13-19(10-12-22-16)17(20)18(2)9-6-11-21-3/h4-5,7-8,16H,6,9-13H2,1-3H3/t16-/m0/s1
InChIKeyRJOLPVNVIPSQKT-INIZCTEOSA-N
XLogP2.46
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide (CID 99858293) is (2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide is COCCCN(C)C(=O)N1CCO[C@H](c2ccccc2C)C1.
What is the InChIKey of (2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide?
The InChIKey is RJOLPVNVIPSQKT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-14-7-4-5-8-15(14)16-13-19(10-12-22-16)17(20)18(2)9-6-11-21-3/h4-5,7-8,16H,6,9-13H2,1-3H3/t16-/m0/s1.
What are the key properties of (2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide?
(2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxypropyl)-N-methyl-2-(2-methylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 99858293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).