N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide

C21H24N2O3 — CID 26712685

IUPACN,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)/C=C/c2cccc(OC)c2)c1
InChIInChI=1S/C21H24N2O3/c1-4-23(5-2)21(25)17-9-7-10-18(15-17)22-20(24)13-12-16-8-6-11-19(14-16)26-3/h6-15H,4-5H2,1-3H3,(H,22,24)/b13-12+
InChIKeyNHMGPYUAWKACNB-OUKQBFOZSA-N
MW352.43 g/mol
LogP3.83
Rot. Bonds7

About N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide

N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 26712685) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide
PubChem CID26712685
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)/C=C/c2cccc(OC)c2)c1
InChIInChI=1S/C21H24N2O3/c1-4-23(5-2)21(25)17-9-7-10-18(15-17)22-20(24)13-12-16-8-6-11-19(14-16)26-3/h6-15H,4-5H2,1-3H3,(H,22,24)/b13-12+
InChIKeyNHMGPYUAWKACNB-OUKQBFOZSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.83
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,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 26712530
N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide
CID 31287568
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 97304942
N,N-diethyl-3-(prop-2-enoylamino)benzamide
CID 43616413
N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide
CID 60607023
(E)-3-(3-methoxyphenyl)-N-[3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359675
N-[[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926513
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
ethyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 890217
ethyl 3-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate
CID 890216
N,N-dimethyl-3-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]benzamide
CID 33159074

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide (CID 26712685) is N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)/C=C/c2cccc(OC)c2)c1.
What is the InChIKey of N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is NHMGPYUAWKACNB-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-23(5-2)21(25)17-9-7-10-18(15-17)22-20(24)13-12-16-8-6-11-19(14-16)26-3/h6-15H,4-5H2,1-3H3,(H,22,24)/b13-12+.
What are the key properties of N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide?
N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 26712685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).