N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide

C25H32N2O4 — CID 26712530

IUPACN,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)/C=C/c2ccc(OCC(C)C)c(OC)c2)c1
InChIInChI=1S/C25H32N2O4/c1-6-27(7-2)25(29)20-9-8-10-21(16-20)26-24(28)14-12-19-11-13-22(23(15-19)30-5)31-17-18(3)4/h8-16,18H,6-7,17H2,1-5H3,(H,26,28)/b14-12+
InChIKeyGRLFFZXRXTWLIC-WYMLVPIESA-N
MW424.54 g/mol
LogP4.86
Rot. Bonds10

About N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide

N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide (PubChem CID 26712530) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide
PubChem CID26712530
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)/C=C/c2ccc(OCC(C)C)c(OC)c2)c1
InChIInChI=1S/C25H32N2O4/c1-6-27(7-2)25(29)20-9-8-10-21(16-20)26-24(28)14-12-19-11-13-22(23(15-19)30-5)31-17-18(3)4/h8-16,18H,6-7,17H2,1-5H3,(H,26,28)/b14-12+
InChIKeyGRLFFZXRXTWLIC-WYMLVPIESA-N
XLogP4.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide
CID 31287568
3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32849699
N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 26712685
N-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 55573525
methyl 4-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzoate
CID 18277917
(E)-N-(3-acetamido-2-methylphenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 24673568
3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51152920
(E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 33310401
N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide
CID 8858895
propyl 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzoate
CID 3431507
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-propan-2-ylprop-2-enamide
CID 73422617
3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218973

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide (CID 26712530) is N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)/C=C/c2ccc(OCC(C)C)c(OC)c2)c1.
What is the InChIKey of N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide?
The InChIKey is GRLFFZXRXTWLIC-WYMLVPIESA-N. The full InChI is InChI=1S/C25H32N2O4/c1-6-27(7-2)25(29)20-9-8-10-21(16-20)26-24(28)14-12-19-11-13-22(23(15-19)30-5)31-17-18(3)4/h8-16,18H,6-7,17H2,1-5H3,(H,26,28)/b14-12+.
What are the key properties of N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide?
N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide has a molecular weight of 424.54 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 26712530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).