N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

C17H20N2O4 — CID 108973161

IUPACN-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C17H20N2O4/c1-12(20)13-2-4-14(5-3-13)18-15(21)17(6-7-17)16(22)19-8-10-23-11-9-19/h2-5H,6-11H2,1H3,(H,18,21)
InChIKeyMAPCWGZDCAHYEG-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.47
Rot. Bonds4

About N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108973161) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
PubChem CID108973161
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C17H20N2O4/c1-12(20)13-2-4-14(5-3-13)18-15(21)17(6-7-17)16(22)19-8-10-23-11-9-19/h2-5H,6-11H2,1H3,(H,18,21)
InChIKeyMAPCWGZDCAHYEG-UHFFFAOYSA-N
XLogP1.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973116
N-(3,5-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973117
N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973184
N-(3,5-dichlorophenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973199
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971682
1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120549290
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972102
N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974195
1-(4-acetylphenyl)-3-morpholin-4-ylthiourea
CID 17282119
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108983456

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (CID 108973161) is N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is CC(=O)c1ccc(NC(=O)C2(C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is MAPCWGZDCAHYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12(20)13-2-4-14(5-3-13)18-15(21)17(6-7-17)16(22)19-8-10-23-11-9-19/h2-5H,6-11H2,1H3,(H,18,21).
What are the key properties of N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108973161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).