(E)-3-(4-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]prop-2-enamide

C22H26N2O — CID 60575021

IUPAC(E)-3-(4-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O/c1-18-4-6-19(7-5-18)10-13-22(25)23-21-11-8-20(9-12-21)14-17-24-15-2-3-16-24/h4-13H,2-3,14-17H2,1H3,(H,23,25)/b13-10+
InChIKeyXZWGMICZCGLNHN-JLHYYAGUSA-N
MW334.46 g/mol
LogP4.29
Rot. Bonds6

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

(E)-3-(4-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]prop-2-enamide (PubChem CID 60575021) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]prop-2-enamide
PubChem CID60575021
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name(E)-3-(4-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O/c1-18-4-6-19(7-5-18)10-13-22(25)23-21-11-8-20(9-12-21)14-17-24-15-2-3-16-24/h4-13H,2-3,14-17H2,1H3,(H,23,25)/b13-10+
InChIKeyXZWGMICZCGLNHN-JLHYYAGUSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.29
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

3-(3-bromophenyl)-N-[4-(2-piperidin-1-ylethyl)phenyl]prop-2-enamide
CID 69336688
3-(4-chlorophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide
CID 925582
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
N-(4-bromophenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide
CID 68817727
N-methyl-5-[(E)-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-3-oxoprop-1-enyl]pyridine-3-carboxamide
CID 86933753
4-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109898
(E)-3-[3-(2,5-dimethylphenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 18472227
(E)-N,3-bis(4-methylphenyl)prop-2-enamide;(4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 158955701
(E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 917674
N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 9164572
1-[2-[4-[[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]phenyl]ethyl]piperidine-4-carboxamide
CID 47092004
N-(4-butylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4090425

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]prop-2-enamide (CID 60575021) is (E)-3-(4-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]prop-2-enamide?
The InChIKey is XZWGMICZCGLNHN-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H26N2O/c1-18-4-6-19(7-5-18)10-13-22(25)23-21-11-8-20(9-12-21)14-17-24-15-2-3-16-24/h4-13H,2-3,14-17H2,1H3,(H,23,25)/b13-10+.
What are the key properties of (E)-3-(4-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]prop-2-enamide?
(E)-3-(4-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]prop-2-enamide has a molecular weight of 334.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 60575021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).