3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide

C24H30N2O4 — CID 55782534

IUPAC3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide
SMILESCCCOc1ccc(C=CC(=O)Nc2cc(C(=O)NCC)ccc2C)cc1OCC
InChIInChI=1S/C24H30N2O4/c1-5-14-30-21-12-9-18(15-22(21)29-7-3)10-13-23(27)26-20-16-19(11-8-17(20)4)24(28)25-6-2/h8-13,15-16H,5-7,14H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyFVAXLGQWQWVNAY-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.58
Rot. Bonds10

About 3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide

3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide (PubChem CID 55782534) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide
PubChem CID55782534
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide
SMILESCCCOc1ccc(C=CC(=O)Nc2cc(C(=O)NCC)ccc2C)cc1OCC
InChIInChI=1S/C24H30N2O4/c1-5-14-30-21-12-9-18(15-22(21)29-7-3)10-13-23(27)26-20-16-19(11-8-17(20)4)24(28)25-6-2/h8-13,15-16H,5-7,14H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyFVAXLGQWQWVNAY-UHFFFAOYSA-N
XLogP4.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.58
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)-3-(4-butoxy-3-ethoxyphenyl)-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 2071575
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
CID 60555858
N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 33317052
N-(2-acetamido-5-chlorophenyl)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enamide
CID 76878434
3-(3-ethoxy-4-propoxyphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 85461530
3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
CID 102603082
3-(but-2-enoylamino)-N-ethyl-4-methylbenzamide
CID 112729428
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 134016624
3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 28686572
(E)-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(3-ethoxy-4-propoxyphenyl)prop-2-enamide
CID 2474207
4-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]-3-methylbenzoic acid
CID 45383023
methyl 4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-methylbenzoate
CID 35249748

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide (CID 55782534) is 3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide is CCCOc1ccc(C=CC(=O)Nc2cc(C(=O)NCC)ccc2C)cc1OCC.
What is the InChIKey of 3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide?
The InChIKey is FVAXLGQWQWVNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-5-14-30-21-12-9-18(15-22(21)29-7-3)10-13-23(27)26-20-16-19(11-8-17(20)4)24(28)25-6-2/h8-13,15-16H,5-7,14H2,1-4H3,(H,25,28)(H,26,27).
What are the key properties of 3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide?
3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide has a molecular weight of 410.51 g/mol, XLogP of 4.58, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 55782534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).