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

C21H22N2O4 — CID 46568895

IUPACN-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide
SMILESCOc1ccc(OC)c(NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C21H22N2O4/c1-26-17-10-11-19(27-2)18(13-17)23-20(24)12-5-14-3-6-15(7-4-14)21(25)22-16-8-9-16/h3-7,10-13,16H,8-9H2,1-2H3,(H,22,25)(H,23,24)/b12-5+
InChIKeyKGHNQUOILKOYEM-LFYBBSHMSA-N
MW366.42 g/mol
LogP3.25
Rot. Bonds7

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

N-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide (PubChem CID 46568895) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide
PubChem CID46568895
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide
SMILESCOc1ccc(OC)c(NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C21H22N2O4/c1-26-17-10-11-19(27-2)18(13-17)23-20(24)12-5-14-3-6-15(7-4-14)21(25)22-16-8-9-16/h3-7,10-13,16H,8-9H2,1-2H3,(H,22,25)(H,23,24)/b12-5+
InChIKeyKGHNQUOILKOYEM-LFYBBSHMSA-N
XLogP3.25
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.25
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

(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
N-cyclopropyl-4-[(E)-3-[(2,5-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]benzamide
CID 46649997
N-cyclopropyl-4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51300094
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
(E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501086
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 17416575
N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide
CID 55490185
N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide
CID 35504273
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 732460

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide (CID 46568895) is N-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide is COc1ccc(OC)c(NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)c1.
What is the InChIKey of N-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide?
The InChIKey is KGHNQUOILKOYEM-LFYBBSHMSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-26-17-10-11-19(27-2)18(13-17)23-20(24)12-5-14-3-6-15(7-4-14)21(25)22-16-8-9-16/h3-7,10-13,16H,8-9H2,1-2H3,(H,22,25)(H,23,24)/b12-5+.
What are the key properties of N-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide?
N-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide has a molecular weight of 366.42 g/mol, XLogP of 3.25, 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-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 46568895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).