N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide

C17H20N2O3 — CID 35554708

IUPACN-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide
SMILESO=C(NC1CC1)c1ccc(/C=C/C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H20N2O3/c20-16(19-9-11-22-12-10-19)8-3-13-1-4-14(5-2-13)17(21)18-15-6-7-15/h1-5,8,15H,6-7,9-12H2,(H,18,21)/b8-3+
InChIKeyBNLTUIZKAMRQCE-FPYGCLRLSA-N
MW300.36 g/mol
LogP1.45
Rot. Bonds4

About N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide

N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide (PubChem CID 35554708) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide
PubChem CID35554708
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide
SMILESO=C(NC1CC1)c1ccc(/C=C/C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H20N2O3/c20-16(19-9-11-22-12-10-19)8-3-13-1-4-14(5-2-13)17(21)18-15-6-7-15/h1-5,8,15H,6-7,9-12H2,(H,18,21)/b8-3+
InChIKeyBNLTUIZKAMRQCE-FPYGCLRLSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[(E)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide
CID 39633785
3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 78163324
N-cyclopropyl-4-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-1-enyl]benzamide
CID 76860309
N-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide
CID 55776660
N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide
CID 68976485
N-cyclopropyl-4-[(E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide
CID 39692507
N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide
CID 71841529
N-[1-[(E)-3-[4-(methanesulfonamido)phenyl]prop-2-enoyl]piperidin-4-yl]benzamide
CID 30297359
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid
CID 76943368
N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935704
N-cyclopropyl-4-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide
CID 31829368

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide (CID 35554708) is N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide is O=C(NC1CC1)c1ccc(/C=C/C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide?
The InChIKey is BNLTUIZKAMRQCE-FPYGCLRLSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-16(19-9-11-22-12-10-19)8-3-13-1-4-14(5-2-13)17(21)18-15-6-7-15/h1-5,8,15H,6-7,9-12H2,(H,18,21)/b8-3+.
What are the key properties of N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide?
N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide has a molecular weight of 300.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 35554708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).