4-(2-cyclopropylethoxy)-N-[1-(4-cyclopropylphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide

C26H30N2O3 — CID 123609016

IUPAC4-(2-cyclopropylethoxy)-N-[1-(4-cyclopropylphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESCCNC(=O)C(=Cc1ccc(C2CC2)cc1)NC(=O)c1ccc(OCCC2CC2)cc1
InChIInChI=1S/C26H30N2O3/c1-2-27-26(30)24(17-19-5-7-20(8-6-19)21-9-10-21)28-25(29)22-11-13-23(14-12-22)31-16-15-18-3-4-18/h5-8,11-14,17-18,21H,2-4,9-10,15-16H2,1H3,(H,27,30)(H,28,29)
InChIKeyJBGHWGVYEUVFFO-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.65
Rot. Bonds10

About 4-(2-cyclopropylethoxy)-N-[1-(4-cyclopropylphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide

4-(2-cyclopropylethoxy)-N-[1-(4-cyclopropylphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 123609016) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-(2-cyclopropylethoxy)-N-[1-(4-cyclopropylphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-cyclopropylethoxy)-N-[1-(4-cyclopropylphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID123609016
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name4-(2-cyclopropylethoxy)-N-[1-(4-cyclopropylphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESCCNC(=O)C(=Cc1ccc(C2CC2)cc1)NC(=O)c1ccc(OCCC2CC2)cc1
InChIInChI=1S/C26H30N2O3/c1-2-27-26(30)24(17-19-5-7-20(8-6-19)21-9-10-21)28-25(29)22-11-13-23(14-12-22)31-16-15-18-3-4-18/h5-8,11-14,17-18,21H,2-4,9-10,15-16H2,1H3,(H,27,30)(H,28,29)
InChIKeyJBGHWGVYEUVFFO-UHFFFAOYSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[[4-(2-cyclopropylethoxy)benzoyl]amino]-3-(4-cyclopropylphenyl)prop-2-enoyl]amino]ethyl acetate
CID 76591965
2-[[3-(4-cyclopropylphenyl)-2-[[4-[2-(4-methoxyphenyl)ethoxy]benzoyl]amino]prop-2-enoyl]amino]ethyl acetate
CID 77171306
N-[(E)-1-(4-cyclopropyloxyphenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-4-(3-cyclopropylpropoxy)benzamide
CID 69020718
4-(4-cyclopropylbutoxy)-N-[3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide
CID 66812008
2-[[2-[(4-butoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetic acid
CID 2909548
4-butoxy-N-[1-(4-chlorophenyl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 76591982
3-[[2-[(4-butoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 3075202
N-[(Z)-3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2186045
4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide
CID 66812180
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309
N-[1-(4-ethoxyphenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3704032
4-butoxy-N-[(2E,4E)-1-(ethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2245743

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethoxy)-N-[1-(4-cyclopropylphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of 4-(2-cyclopropylethoxy)-N-[1-(4-cyclopropylphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide (CID 123609016) is 4-(2-cyclopropylethoxy)-N-[1-(4-cyclopropylphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for 4-(2-cyclopropylethoxy)-N-[1-(4-cyclopropylphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for 4-(2-cyclopropylethoxy)-N-[1-(4-cyclopropylphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide is CCNC(=O)C(=Cc1ccc(C2CC2)cc1)NC(=O)c1ccc(OCCC2CC2)cc1.
What is the InChIKey of 4-(2-cyclopropylethoxy)-N-[1-(4-cyclopropylphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is JBGHWGVYEUVFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-2-27-26(30)24(17-19-5-7-20(8-6-19)21-9-10-21)28-25(29)22-11-13-23(14-12-22)31-16-15-18-3-4-18/h5-8,11-14,17-18,21H,2-4,9-10,15-16H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 4-(2-cyclopropylethoxy)-N-[1-(4-cyclopropylphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide?
4-(2-cyclopropylethoxy)-N-[1-(4-cyclopropylphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 418.54 g/mol, XLogP of 4.65, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethoxy)-N-[1-(4-cyclopropylphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 123609016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).