4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide

C27H34N4O2 — CID 55721607

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C27H34N4O2/c1-20-16-30(17-21(2)33-20)18-23-11-13-24(14-12-23)27(32)28-15-7-8-25-19-31(29-22(25)3)26-9-5-4-6-10-26/h4-6,9-14,19-21H,7-8,15-18H2,1-3H3,(H,28,32)
InChIKeyGCMFZXNNAILLEQ-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.15
Rot. Bonds8

About 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide (PubChem CID 55721607) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
PubChem CID55721607
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C27H34N4O2/c1-20-16-30(17-21(2)33-20)18-23-11-13-24(14-12-23)27(32)28-15-7-8-25-19-31(29-22(25)3)26-9-5-4-6-10-26/h4-6,9-14,19-21H,7-8,15-18H2,1-3H3,(H,28,32)
InChIKeyGCMFZXNNAILLEQ-UHFFFAOYSA-N
XLogP4.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 60511426
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 46426573
3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 55644256
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-2-phenylethyl)benzamide
CID 60543626
3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 46473562
N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 119528441
4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide
CID 122131967
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-9H-xanthene-9-carboxamide
CID 55644599
2-methyl-1-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111393481
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795528
2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 86971711
1-ethyl-3-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxoquinoxaline-6-carboxamide
CID 46426625

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide (CID 55721607) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide is Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(CN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide?
The InChIKey is GCMFZXNNAILLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-20-16-30(17-21(2)33-20)18-23-11-13-24(14-12-23)27(32)28-15-7-8-25-19-31(29-22(25)3)26-9-5-4-6-10-26/h4-6,9-14,19-21H,7-8,15-18H2,1-3H3,(H,28,32).
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide?
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide has a molecular weight of 446.60 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 55721607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).