N-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide

C20H27N3O3 — CID 55776660

IUPACN-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide
SMILESCC(CN1CCOCC1)NC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C20H27N3O3/c1-15(14-23-10-12-26-13-11-23)21-19(24)9-4-16-2-5-17(6-3-16)20(25)22-18-7-8-18/h2-6,9,15,18H,7-8,10-14H2,1H3,(H,21,24)(H,22,25)/b9-4+
InChIKeyRJSYQTSIVQMUTK-RUDMXATFSA-N
MW357.45 g/mol
LogP1.43
Rot. Bonds7

About N-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide

N-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide (PubChem CID 55776660) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide
PubChem CID55776660
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide
SMILESCC(CN1CCOCC1)NC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C20H27N3O3/c1-15(14-23-10-12-26-13-11-23)21-19(24)9-4-16-2-5-17(6-3-16)20(25)22-18-7-8-18/h2-6,9,15,18H,7-8,10-14H2,1H3,(H,21,24)(H,22,25)/b9-4+
InChIKeyRJSYQTSIVQMUTK-RUDMXATFSA-N
XLogP1.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide
CID 35554708
N-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide
CID 33077788
N-cyclopropyl-2-(1-morpholin-4-ylpropan-2-ylamino)propanamide
CID 54965360
N-cyclopropyl-4-[(E)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]benzamide
CID 78854415
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea
CID 128943207
4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910
N-cyclopropyl-4-[(E)-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]benzamide
CID 35551214
(E)-3-(1,3-benzoxazol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)prop-2-enamide
CID 51083819
4-[(E)-3-(butan-2-ylamino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134034315
4-(2-cyclopropyl-2-oxoethoxy)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
CID 95763360
N-cyclopropyl-4-[(E)-3-[2-(4-ethylbenzoyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 134048452

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide (CID 55776660) is N-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide is CC(CN1CCOCC1)NC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide?
The InChIKey is RJSYQTSIVQMUTK-RUDMXATFSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15(14-23-10-12-26-13-11-23)21-19(24)9-4-16-2-5-17(6-3-16)20(25)22-18-7-8-18/h2-6,9,15,18H,7-8,10-14H2,1H3,(H,21,24)(H,22,25)/b9-4+.
What are the key properties of N-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide?
N-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide has a molecular weight of 357.45 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(E)-3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 55776660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).