N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide

C22H26N2O2 — CID 46046597

IUPACN-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide
SMILESC=CCNC(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)CC)cc1
InChIInChI=1S/C22H26N2O2/c1-4-13-23-21(25)15-18-9-11-20(12-10-18)24(22(26)5-2)16-19-8-6-7-17(3)14-19/h4,6-12,14H,1,5,13,15-16H2,2-3H3,(H,23,25)
InChIKeyBSUIZYQZHYRSLQ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.78
Rot. Bonds8

About N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide

N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide (PubChem CID 46046597) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide
PubChem CID46046597
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide
SMILESC=CCNC(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)CC)cc1
InChIInChI=1S/C22H26N2O2/c1-4-13-23-21(25)15-18-9-11-20(12-10-18)24(22(26)5-2)16-19-8-6-7-17(3)14-19/h4,6-12,14H,1,5,13,15-16H2,2-3H3,(H,23,25)
InChIKeyBSUIZYQZHYRSLQ-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46046591
N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide
CID 46046893
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46045989
2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 46046632
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46046855
2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 42852963
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 71957751
N-[(3-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
CID 46045881
N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46046522
N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide
CID 46052704
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046353
2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide
CID 42852958

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide (CID 46046597) is N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide is C=CCNC(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)CC)cc1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide?
The InChIKey is BSUIZYQZHYRSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-13-23-21(25)15-18-9-11-20(12-10-18)24(22(26)5-2)16-19-8-6-7-17(3)14-19/h4,6-12,14H,1,5,13,15-16H2,2-3H3,(H,23,25).
What are the key properties of N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide?
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide has a molecular weight of 350.46 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide is sourced from PubChem (CID 46046597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).