N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide

C23H26N2O4 — CID 41265772

IUPACN-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1OCC
InChIInChI=1S/C23H26N2O4/c1-3-28-20-13-5-16(15-21(20)29-4-2)6-14-22(26)24-18-9-11-19(12-10-18)25-23(27)17-7-8-17/h5-6,9-15,17H,3-4,7-8H2,1-2H3,(H,24,26)(H,25,27)/b14-6+
InChIKeyHUNZBWQIGFDDCN-MKMNVTDBSA-N
MW394.47 g/mol
LogP4.48
Rot. Bonds9

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

N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 41265772) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID41265772
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1OCC
InChIInChI=1S/C23H26N2O4/c1-3-28-20-13-5-16(15-21(20)29-4-2)6-14-22(26)24-18-9-11-19(12-10-18)25-23(27)17-7-8-17/h5-6,9-15,17H,3-4,7-8H2,1-2H3,(H,24,26)(H,25,27)/b14-6+
InChIKeyHUNZBWQIGFDDCN-MKMNVTDBSA-N
XLogP4.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.48
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

N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732824
(E)-3-(3,4-diethoxyphenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide
CID 1178498
N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5046140
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534909
(E)-N-(4-aminophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 28854464
(E)-N-(3-chloro-4-methoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5449139
N-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 55573525
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide
CID 719545
N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183388
N-[4-(diethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183385
(E)-N-[4-(dimethylamino)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 78776552
(E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide
CID 7924174

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide (CID 41265772) is N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide is CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1OCC.
What is the InChIKey of N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is HUNZBWQIGFDDCN-MKMNVTDBSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-3-28-20-13-5-16(15-21(20)29-4-2)6-14-22(26)24-18-9-11-19(12-10-18)25-23(27)17-7-8-17/h5-6,9-15,17H,3-4,7-8H2,1-2H3,(H,24,26)(H,25,27)/b14-6+.
What are the key properties of N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide?
N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 394.47 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 41265772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).