(2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide

C15H22N2O2 — CID 120923405

IUPAC(2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide
SMILESCc1cccc(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C15H22N2O2/c1-11-5-4-6-13(9-11)10-17(3)15(18)14-12(2)19-8-7-16-14/h4-6,9,12,14,16H,7-8,10H2,1-3H3/t12-,14+/m1/s1
InChIKeyLKMFUBBTIVBYFP-OCCSQVGLSA-N
MW262.35 g/mol
LogP1.33
Rot. Bonds3

About (2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide

(2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide (PubChem CID 120923405) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide
PubChem CID120923405
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide
SMILESCc1cccc(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C15H22N2O2/c1-11-5-4-6-13(9-11)10-17(3)15(18)14-12(2)19-8-7-16-14/h4-6,9,12,14,16H,7-8,10H2,1-3H3/t12-,14+/m1/s1
InChIKeyLKMFUBBTIVBYFP-OCCSQVGLSA-N
XLogP1.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120918446
(2R,3S)-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 120920159
(2R,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120919622
(2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide
CID 120934519
(2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918260
(2R,3S)-2-methyl-N-[2-(3-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120927296
(2R,3S)-N-[(2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120918482
(2R,3S)-N-[(2-bromophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918331
(2R,3S)-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120921210
(2R,3S)-N,2-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 120920037
N-methyl-N-[(3-methylphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66429127
(2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120924793

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide (CID 120923405) is (2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide is Cc1cccc(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)c1.
What is the InChIKey of (2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide?
The InChIKey is LKMFUBBTIVBYFP-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-4-6-13(9-11)10-17(3)15(18)14-12(2)19-8-7-16-14/h4-6,9,12,14,16H,7-8,10H2,1-3H3/t12-,14+/m1/s1.
What are the key properties of (2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide?
(2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 120923405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).