N-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide

C15H22N2O2 — CID 115177573

IUPACN-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide
SMILESCC(C)c1ccc(N(C)C(=O)C2COCCN2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(2)12-4-6-13(7-5-12)17(3)15(18)14-10-19-9-8-16-14/h4-7,11,14,16H,8-10H2,1-3H3
InChIKeyOQKRMBWLJBZNCA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.76
Rot. Bonds3

About N-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide

N-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide (PubChem CID 115177573) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide
PubChem CID115177573
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide
SMILESCC(C)c1ccc(N(C)C(=O)C2COCCN2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(2)12-4-6-13(7-5-12)17(3)15(18)14-10-19-9-8-16-14/h4-7,11,14,16H,8-10H2,1-3H3
InChIKeyOQKRMBWLJBZNCA-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-propylphenyl)morpholine-3-carboxamide
CID 115177584
N-methyl-N-(2,4,6-trimethylphenyl)morpholine-3-carboxamide
CID 115177590
N-(2-bromophenyl)-N-methylmorpholine-3-carboxamide
CID 115177610
N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119337319
(2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120636707
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977341
N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 115177667
(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide
CID 16681349
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119682446
N-methyl-N-[(2-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119681680
N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide
CID 115159200
3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550889

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide?
The IUPAC name of N-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide (CID 115177573) is N-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide?
The canonical SMILES for N-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide is CC(C)c1ccc(N(C)C(=O)C2COCCN2)cc1.
What is the InChIKey of N-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide?
The InChIKey is OQKRMBWLJBZNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)12-4-6-13(7-5-12)17(3)15(18)14-10-19-9-8-16-14/h4-7,11,14,16H,8-10H2,1-3H3.
What are the key properties of N-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide?
N-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-propan-2-ylphenyl)morpholine-3-carboxamide is sourced from PubChem (CID 115177573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).