N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide

C19H20N2O2 — CID 110300711

IUPACN,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide
SMILESCc1ccccc1NC(=O)/C=C/c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C19H20N2O2/c1-14-6-4-5-7-17(14)20-18(22)13-10-15-8-11-16(12-9-15)19(23)21(2)3/h4-13H,1-3H3,(H,20,22)/b13-10+
InChIKeyCWROIUGVSQOWSQ-JLHYYAGUSA-N
MW308.38 g/mol
LogP3.35
Rot. Bonds4

About N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide

N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide (PubChem CID 110300711) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide
PubChem CID110300711
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide
SMILESCc1ccccc1NC(=O)/C=C/c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C19H20N2O2/c1-14-6-4-5-7-17(14)20-18(22)13-10-15-8-11-16(12-9-15)19(23)21(2)3/h4-13H,1-3H3,(H,20,22)/b13-10+
InChIKeyCWROIUGVSQOWSQ-JLHYYAGUSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300734
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
N,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide
CID 110616981
4-[(E)-3-(3-bromo-4-methylanilino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300748
4-[(E)-3-(2-methoxy-5-methylanilino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300754
4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 7729326
(E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 24554768
4-[(E)-3-(2,3-dimethylanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061980
N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide
CID 139612240

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide (CID 110300711) is N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide is Cc1ccccc1NC(=O)/C=C/c1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide?
The InChIKey is CWROIUGVSQOWSQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-6-4-5-7-17(14)20-18(22)13-10-15-8-11-16(12-9-15)19(23)21(2)3/h4-13H,1-3H3,(H,20,22)/b13-10+.
What are the key properties of N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide?
N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide has a molecular weight of 308.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 110300711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).