N-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide

C22H24N2O4 — CID 46649997

IUPACN-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide
SMILESCOc1ccc(OC)c(CNC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C22H24N2O4/c1-27-19-10-11-20(28-2)17(13-19)14-23-21(25)12-5-15-3-6-16(7-4-15)22(26)24-18-8-9-18/h3-7,10-13,18H,8-9,14H2,1-2H3,(H,23,25)(H,24,26)/b12-5+
InChIKeyQFXBYVFGPDSHOA-LFYBBSHMSA-N
MW380.44 g/mol
LogP2.93
Rot. Bonds8

About N-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide

N-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide (PubChem CID 46649997) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide
PubChem CID46649997
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide
SMILESCOc1ccc(OC)c(CNC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C22H24N2O4/c1-27-19-10-11-20(28-2)17(13-19)14-23-21(25)12-5-15-3-6-16(7-4-15)22(26)24-18-8-9-18/h3-7,10-13,18H,8-9,14H2,1-2H3,(H,23,25)(H,24,26)/b12-5+
InChIKeyQFXBYVFGPDSHOA-LFYBBSHMSA-N
XLogP2.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.93
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-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide
CID 46568895
N-cyclopropyl-4-[(E)-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]benzamide
CID 35551214
N-cyclopropyl-4-[(E)-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]benzamide
CID 35556653
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35504342
N-cyclopropyl-4-[(E)-3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxoprop-1-enyl]benzamide
CID 35711392
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
N-cyclohexyl-4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide
CID 28587889
N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide
CID 55907831
N-cyclopropyl-4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51300094
N-cyclopropyl-4-[(E)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]benzamide
CID 78854415
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide (CID 46649997) is N-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide is COc1ccc(OC)c(CNC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)c1.
What is the InChIKey of N-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide?
The InChIKey is QFXBYVFGPDSHOA-LFYBBSHMSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-27-19-10-11-20(28-2)17(13-19)14-23-21(25)12-5-15-3-6-16(7-4-15)22(26)24-18-8-9-18/h3-7,10-13,18H,8-9,14H2,1-2H3,(H,23,25)(H,24,26)/b12-5+.
What are the key properties of N-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide?
N-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide has a molecular weight of 380.44 g/mol, XLogP of 2.93, 8 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-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 46649997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).