N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

C17H22N2O3 — CID 108973116

IUPACN-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)N3CCOCC3)CC2)cc1C
InChIInChI=1S/C17H22N2O3/c1-12-3-4-14(11-13(12)2)18-15(20)17(5-6-17)16(21)19-7-9-22-10-8-19/h3-4,11H,5-10H2,1-2H3,(H,18,20)
InChIKeyVHBDUUBYCXDAIV-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.88
Rot. Bonds3

About N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108973116) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
PubChem CID108973116
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)N3CCOCC3)CC2)cc1C
InChIInChI=1S/C17H22N2O3/c1-12-3-4-14(11-13(12)2)18-15(20)17(5-6-17)16(21)19-7-9-22-10-8-19/h3-4,11H,5-10H2,1-2H3,(H,18,20)
InChIKeyVHBDUUBYCXDAIV-UHFFFAOYSA-N
XLogP1.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973184
N-(3,5-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973117
N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973161
N-(3,5-dichlorophenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973199
N-(2-chloro-4,6-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973141
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972102
1-N-(4-tert-butylphenyl)-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981391
1-N-[4-(dimethylamino)phenyl]-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981425
1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979647
N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974020
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120549290

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (CID 108973116) is N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(C(=O)N3CCOCC3)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is VHBDUUBYCXDAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-3-4-14(11-13(12)2)18-15(20)17(5-6-17)16(21)19-7-9-22-10-8-19/h3-4,11H,5-10H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108973116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).