N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide

C14H20N2O2 — CID 115575680

IUPACN-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-12-3-5-13(6-4-12)11-15(2)14(17)16-7-9-18-10-8-16/h3-6H,7-11H2,1-2H3
InChIKeyLYZSOOMBGOOEOO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.88
Rot. Bonds2

About N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide

N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide (PubChem CID 115575680) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide
PubChem CID115575680
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-12-3-5-13(6-4-12)11-15(2)14(17)16-7-9-18-10-8-16/h3-6H,7-11H2,1-2H3
InChIKeyLYZSOOMBGOOEOO-UHFFFAOYSA-N
XLogP1.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide
CID 143450980
N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 89468282
4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61187481
N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278764
N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide
CID 79152363
4-[[azepane-1-carbonyl(methyl)amino]methyl]benzoic acid
CID 61188179
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
N-methyl-N-[(4-methylphenyl)methyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56741639
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 658810
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 120667405
4-[[methyl(piperazine-1-carbonyl)amino]methyl]benzoic acid
CID 61405190
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120918448

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide (CID 115575680) is N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide is Cc1ccc(CN(C)C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide?
The InChIKey is LYZSOOMBGOOEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12-3-5-13(6-4-12)11-15(2)14(17)16-7-9-18-10-8-16/h3-6H,7-11H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide?
N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 115575680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).