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

C21H22N2O2 — CID 24655371

IUPAC(E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H22N2O2/c1-16-6-2-3-7-17(16)10-13-20(24)22-19-11-8-18(9-12-19)21(25)23-14-4-5-15-23/h2-3,6-13H,4-5,14-15H2,1H3,(H,22,24)/b13-10+
InChIKeyLYEAZMJXYLTEDB-JLHYYAGUSA-N
MW334.42 g/mol
LogP3.88
Rot. Bonds4

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

(E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide (PubChem CID 24655371) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
PubChem CID24655371
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H22N2O2/c1-16-6-2-3-7-17(16)10-13-20(24)22-19-11-8-18(9-12-19)21(25)23-14-4-5-15-23/h2-3,6-13H,4-5,14-15H2,1H3,(H,22,24)/b13-10+
InChIKeyLYEAZMJXYLTEDB-JLHYYAGUSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chlorophenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 108763700
(E)-3-(2-methoxyphenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 26168074
2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
(E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide
CID 134556387
(E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 46535526
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide
CID 71889289
(E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide
CID 167944713
3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 1223934
(E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 17179761
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide (CID 24655371) is (E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide is Cc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of (E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
The InChIKey is LYEAZMJXYLTEDB-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-16-6-2-3-7-17(16)10-13-20(24)22-19-11-8-18(9-12-19)21(25)23-14-4-5-15-23/h2-3,6-13H,4-5,14-15H2,1H3,(H,22,24)/b13-10+.
What are the key properties of (E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide?
(E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide has a molecular weight of 334.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 24655371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).