(E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide

C23H26N2O3 — CID 98823643

IUPAC(E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C23H26N2O3/c1-2-16-28-21-11-8-18(9-12-21)10-13-22(26)24-20-7-5-6-19(17-20)23(27)25-14-3-4-15-25/h5-13,17H,2-4,14-16H2,1H3,(H,24,26)/b13-10+
InChIKeyLLSQXRNGUZFTQI-JLHYYAGUSA-N
MW378.47 g/mol
LogP4.36
Rot. Bonds7

About (E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide

(E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide (PubChem CID 98823643) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
PubChem CID98823643
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C23H26N2O3/c1-2-16-28-21-11-8-18(9-12-21)10-13-22(26)24-20-7-5-6-19(17-20)23(27)25-14-3-4-15-25/h5-13,17H,2-4,14-16H2,1H3,(H,24,26)/b13-10+
InChIKeyLLSQXRNGUZFTQI-JLHYYAGUSA-N
XLogP4.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 26161679
N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791655
N-[3-(azepane-1-carbonyl)phenyl]-4-butoxybenzamide
CID 26159451
4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168496
(E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 17205470
ethyl 3-[3-(4-butoxyphenyl)prop-2-enoylamino]benzoate
CID 4138200
N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide
CID 5049931
(E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 797467
2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821096
(E)-N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 21169351
N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841009
(E)-N-[[3-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 26159883

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide (CID 98823643) is (E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide is CCCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of (E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
The InChIKey is LLSQXRNGUZFTQI-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-2-16-28-21-11-8-18(9-12-21)10-13-22(26)24-20-7-5-6-19(17-20)23(27)25-14-3-4-15-25/h5-13,17H,2-4,14-16H2,1H3,(H,24,26)/b13-10+.
What are the key properties of (E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
(E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide has a molecular weight of 378.47 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 98823643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).