(E)-N-[2-(1H-imidazol-5-yl)ethyl]-N,2-dimethyl-3-(4-methylphenyl)prop-2-enamide

C17H21N3O — CID 138015101

IUPAC(E)-N-[2-(1H-imidazol-5-yl)ethyl]-N,2-dimethyl-3-(4-methylphenyl)prop-2-enamide
SMILESC/C(=C\c1ccc(C)cc1)C(=O)N(C)CCc1cnc[nH]1
InChIInChI=1S/C17H21N3O/c1-13-4-6-15(7-5-13)10-14(2)17(21)20(3)9-8-16-11-18-12-19-16/h4-7,10-12H,8-9H2,1-3H3,(H,18,19)/b14-10+
InChIKeyXDPYVOBBBTYWAL-GXDHUFHOSA-N
MW283.38 g/mol
LogP2.82
Rot. Bonds5

About (E)-N-[2-(1H-imidazol-5-yl)ethyl]-N,2-dimethyl-3-(4-methylphenyl)prop-2-enamide

(E)-N-[2-(1H-imidazol-5-yl)ethyl]-N,2-dimethyl-3-(4-methylphenyl)prop-2-enamide (PubChem CID 138015101) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (E)-N-[2-(1H-imidazol-5-yl)ethyl]-N,2-dimethyl-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1H-imidazol-5-yl)ethyl]-N,2-dimethyl-3-(4-methylphenyl)prop-2-enamide
PubChem CID138015101
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(E)-N-[2-(1H-imidazol-5-yl)ethyl]-N,2-dimethyl-3-(4-methylphenyl)prop-2-enamide
SMILESC/C(=C\c1ccc(C)cc1)C(=O)N(C)CCc1cnc[nH]1
InChIInChI=1S/C17H21N3O/c1-13-4-6-15(7-5-13)10-14(2)17(21)20(3)9-8-16-11-18-12-19-16/h4-7,10-12H,8-9H2,1-3H3,(H,18,19)/b14-10+
InChIKeyXDPYVOBBBTYWAL-GXDHUFHOSA-N
XLogP2.82
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.82
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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1H-imidazol-5-yl)ethyl]-N,2-dimethyl-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(1H-imidazol-5-yl)ethyl]-N,2-dimethyl-3-(4-methylphenyl)prop-2-enamide (CID 138015101) is (E)-N-[2-(1H-imidazol-5-yl)ethyl]-N,2-dimethyl-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(1H-imidazol-5-yl)ethyl]-N,2-dimethyl-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(1H-imidazol-5-yl)ethyl]-N,2-dimethyl-3-(4-methylphenyl)prop-2-enamide is C/C(=C\c1ccc(C)cc1)C(=O)N(C)CCc1cnc[nH]1.
What is the InChIKey of (E)-N-[2-(1H-imidazol-5-yl)ethyl]-N,2-dimethyl-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is XDPYVOBBBTYWAL-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-4-6-15(7-5-13)10-14(2)17(21)20(3)9-8-16-11-18-12-19-16/h4-7,10-12H,8-9H2,1-3H3,(H,18,19)/b14-10+.
What are the key properties of (E)-N-[2-(1H-imidazol-5-yl)ethyl]-N,2-dimethyl-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[2-(1H-imidazol-5-yl)ethyl]-N,2-dimethyl-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 283.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1H-imidazol-5-yl)ethyl]-N,2-dimethyl-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 138015101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).