N-(2,4-dimethylphenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide

C18H24N4O2 — CID 71969365

IUPACN-(2,4-dimethylphenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CCOC(C)(c3cnn(C)c3)C2)c(C)c1
InChIInChI=1S/C18H24N4O2/c1-13-5-6-16(14(2)9-13)20-17(23)22-7-8-24-18(3,12-22)15-10-19-21(4)11-15/h5-6,9-11H,7-8,12H2,1-4H3,(H,20,23)
InChIKeyMJUGJHSDMNTPTM-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.82
Rot. Bonds2

About N-(2,4-dimethylphenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide

N-(2,4-dimethylphenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide (PubChem CID 71969365) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
PubChem CID71969365
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(2,4-dimethylphenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CCOC(C)(c3cnn(C)c3)C2)c(C)c1
InChIInChI=1S/C18H24N4O2/c1-13-5-6-16(14(2)9-13)20-17(23)22-7-8-24-18(3,12-22)15-10-19-21(4)11-15/h5-6,9-11H,7-8,12H2,1-4H3,(H,20,23)
InChIKeyMJUGJHSDMNTPTM-UHFFFAOYSA-N
XLogP2.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US11370784, Example 5
CID 134418892
3-(2,4-Dimethylphenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 45820273
1-(2-Morpholin-4-ylethyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 45829801
1-(1-Ethylpyrazol-4-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 53506358
1-(2-Morpholin-4-ylethyl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 53554854
N-[4-(pyrazol-1-ylmethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 53593498
2,2-dimethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 53610183
1-[1-[3-(Dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2,4,6-trimethylphenyl)urea
CID 56792779
N-(2-fluorophenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 71969911
2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide
CID 75434309
3-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]morpholine-4-carboxamide
CID 75435735
1-(2,4-Dimethylphenyl)-3-methyl-1-[(1-methyl-1H-pyrazol-4-YL)methyl]urea
CID 53016467

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide (CID 71969365) is N-(2,4-dimethylphenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide is Cc1ccc(NC(=O)N2CCOC(C)(c3cnn(C)c3)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The InChIKey is MJUGJHSDMNTPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-5-6-16(14(2)9-13)20-17(23)22-7-8-24-18(3,12-22)15-10-19-21(4)11-15/h5-6,9-11H,7-8,12H2,1-4H3,(H,20,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
N-(2,4-dimethylphenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 71969365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).