N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C19H21NO — CID 4667675

IUPACN-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1ccccc1NC(=O)C=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C19H21NO/c1-14(2)17-11-8-16(9-12-17)10-13-19(21)20-18-7-5-4-6-15(18)3/h4-14H,1-3H3,(H,20,21)
InChIKeyNUWKEWXWZZBGRI-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.77
Rot. Bonds4

About N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 4667675) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID4667675
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1ccccc1NC(=O)C=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C19H21NO/c1-14(2)17-11-8-16(9-12-17)10-13-19(21)20-18-7-5-4-6-15(18)3/h4-14H,1-3H3,(H,20,21)
InChIKeyNUWKEWXWZZBGRI-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1376965
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
(E)-N-(2-methyl-6-propan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1352164
(E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 792205
(E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 108767317
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22777167
(E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 24554768
N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide
CID 110300711
(E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 8714064
(E)-N-(2-morpholin-4-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1291388

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 4667675) is N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is Cc1ccccc1NC(=O)C=Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is NUWKEWXWZZBGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-14(2)17-11-8-16(9-12-17)10-13-19(21)20-18-7-5-4-6-15(18)3/h4-14H,1-3H3,(H,20,21).
What are the key properties of N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 279.38 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 4667675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).