1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide

C24H30N2O2 — CID 75417030

IUPAC1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCc1cc(C)cc(C2(C(=O)NCc3ccc(N4CCOCC4)cc3)CCC2)c1
InChIInChI=1S/C24H30N2O2/c1-18-14-19(2)16-21(15-18)24(8-3-9-24)23(27)25-17-20-4-6-22(7-5-20)26-10-12-28-13-11-26/h4-7,14-16H,3,8-13,17H2,1-2H3,(H,25,27)
InChIKeyRJPDEVIGHURCHR-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.88
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide

1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 75417030) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide
PubChem CID75417030
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCc1cc(C)cc(C2(C(=O)NCc3ccc(N4CCOCC4)cc3)CCC2)c1
InChIInChI=1S/C24H30N2O2/c1-18-14-19(2)16-21(15-18)24(8-3-9-24)23(27)25-17-20-4-6-22(7-5-20)26-10-12-28-13-11-26/h4-7,14-16H,3,8-13,17H2,1-2H3,(H,25,27)
InChIKeyRJPDEVIGHURCHR-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
CID 46951727
N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 56922098
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119245882
1-methyl-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutan-1-amine
CID 115765831
1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 167814480
N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
CID 110405120
2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 86830423
N',3,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111739118
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86870833
4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
CID 46977998

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide (CID 75417030) is 1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide is Cc1cc(C)cc(C2(C(=O)NCc3ccc(N4CCOCC4)cc3)CCC2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is RJPDEVIGHURCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18-14-19(2)16-21(15-18)24(8-3-9-24)23(27)25-17-20-4-6-22(7-5-20)26-10-12-28-13-11-26/h4-7,14-16H,3,8-13,17H2,1-2H3,(H,25,27).
What are the key properties of 1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide?
1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 75417030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).