N-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

C25H24N2O2 — CID 7463615

IUPACN-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
SMILESCc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c1-18-8-12-20(13-9-18)16-23(25(29)26-17-21-6-4-3-5-7-21)27-24(28)22-14-10-19(2)11-15-22/h3-16H,17H2,1-2H3,(H,26,29)(H,27,28)/b23-16-
InChIKeyJRMMWMZQRKWHKM-KQWNVCNZSA-N
MW384.48 g/mol
LogP4.39
Rot. Bonds6

About N-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

N-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide (PubChem CID 7463615) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
PubChem CID7463615
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
SMILESCc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c1-18-8-12-20(13-9-18)16-23(25(29)26-17-21-6-4-3-5-7-21)27-24(28)22-14-10-19(2)11-15-22/h3-16H,17H2,1-2H3,(H,26,29)(H,27,28)/b23-16-
InChIKeyJRMMWMZQRKWHKM-KQWNVCNZSA-N
XLogP4.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2252632
N-[(E)-3-(benzylamino)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5438976
N-[3-(benzylamino)-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 1189200
N-[(Z)-3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2186045
N-[3-(benzylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
CID 2910041
N-[(E)-3-(benzylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
CID 1316968
N-[3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 1100468
N-[(Z)-3-(furan-2-ylmethylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 5441739
N-[(Z)-3-(benzylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 46262121
4-methyl-N-[(Z)-3-oxo-1-(3-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide
CID 2891594
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2131809
4-methyl-N-[(E)-3-(4-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6060583

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide?
The IUPAC name of N-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide (CID 7463615) is N-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide is Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide?
The InChIKey is JRMMWMZQRKWHKM-KQWNVCNZSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-18-8-12-20(13-9-18)16-23(25(29)26-17-21-6-4-3-5-7-21)27-24(28)22-14-10-19(2)11-15-22/h3-16H,17H2,1-2H3,(H,26,29)(H,27,28)/b23-16-.
What are the key properties of N-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide?
N-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide has a molecular weight of 384.48 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide is sourced from PubChem (CID 7463615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).