2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide

C20H22N2O2 — CID 78773493

IUPAC2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide
SMILESCc1cccc(C=CC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1
InChIInChI=1S/C20H22N2O2/c1-14(2)20(24)22-18-10-8-17(9-11-18)21-19(23)12-7-16-6-4-5-15(3)13-16/h4-14H,1-3H3,(H,21,23)(H,22,24)
InChIKeyUILDLVOBDMOALH-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.24
Rot. Bonds5

About 2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide

2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide (PubChem CID 78773493) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide
PubChem CID78773493
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide
SMILESCc1cccc(C=CC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1
InChIInChI=1S/C20H22N2O2/c1-14(2)20(24)22-18-10-8-17(9-11-18)21-19(23)12-7-16-6-4-5-15(3)13-16/h4-14H,1-3H3,(H,21,23)(H,22,24)
InChIKeyUILDLVOBDMOALH-UHFFFAOYSA-N
XLogP4.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.24
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

(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26908907
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 35334560
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 26863375
2-methyl-N-[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]propanamide
CID 26679746
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
N-[4-[3-(4-chloro-3-nitrophenyl)prop-2-enoylamino]phenyl]-2-methylpropanamide
CID 3843470
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 7882958
(2R)-2-[3-(3-methylphenyl)prop-2-enoylamino]propanoic acid
CID 78972886
N,N-dimethyl-3-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]benzamide
CID 33159074
(E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 126478080
(E)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-methylphenyl)prop-2-enamide
CID 26712317

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide (CID 78773493) is 2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide is Cc1cccc(C=CC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1.
What is the InChIKey of 2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide?
The InChIKey is UILDLVOBDMOALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(2)20(24)22-18-10-8-17(9-11-18)21-19(23)12-7-16-6-4-5-15(3)13-16/h4-14H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide?
2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]propanamide is sourced from PubChem (CID 78773493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).