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

C24H28N2O4 — CID 55573525

IUPACN-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCOc1cc(/C=C/C(=O)Nc2cccc(NC(=O)C3CC3)c2)ccc1OCC(C)C
InChIInChI=1S/C24H28N2O4/c1-16(2)15-30-21-11-7-17(13-22(21)29-3)8-12-23(27)25-19-5-4-6-20(14-19)26-24(28)18-9-10-18/h4-8,11-14,16,18H,9-10,15H2,1-3H3,(H,25,27)(H,26,28)/b12-8+
InChIKeyMYWOSFYKLJNYBA-XYOKQWHBSA-N
MW408.50 g/mol
LogP4.73
Rot. Bonds9

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

N-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 55573525) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID55573525
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC NameN-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCOc1cc(/C=C/C(=O)Nc2cccc(NC(=O)C3CC3)c2)ccc1OCC(C)C
InChIInChI=1S/C24H28N2O4/c1-16(2)15-30-21-11-7-17(13-22(21)29-3)8-12-23(27)25-19-5-4-6-20(14-19)26-24(28)18-9-10-18/h4-8,11-14,16,18H,9-10,15H2,1-3H3,(H,25,27)(H,26,28)/b12-8+
InChIKeyMYWOSFYKLJNYBA-XYOKQWHBSA-N
XLogP4.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.73
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-[3-(cyclopropylsulfamoyl)phenyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 33310401
N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 26712530
N-[3-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 46808204
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
N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 41265772
N-[3-[[(E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 46568454
(E)-N-(2,4-dimethoxyphenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 18272734
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-propan-2-ylprop-2-enamide
CID 73422617
(E)-N-(3-acetamidophenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26103193
N-[3-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 60535477
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 154762797

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide (CID 55573525) is N-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide is COc1cc(/C=C/C(=O)Nc2cccc(NC(=O)C3CC3)c2)ccc1OCC(C)C.
What is the InChIKey of N-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is MYWOSFYKLJNYBA-XYOKQWHBSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-16(2)15-30-21-11-7-17(13-22(21)29-3)8-12-23(27)25-19-5-4-6-20(14-19)26-24(28)18-9-10-18/h4-8,11-14,16,18H,9-10,15H2,1-3H3,(H,25,27)(H,26,28)/b12-8+.
What are the key properties of N-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide?
N-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55573525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).