N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide

C15H17N3O2 — CID 77075442

IUPACN-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1C=CC(=O)NCc1cnc[nH]1
InChIInChI=1S/C15H17N3O2/c1-11-3-5-14(20-2)12(7-11)4-6-15(19)17-9-13-8-16-10-18-13/h3-8,10H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyFYXSNCMNSIWMCM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.06
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide

N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide (PubChem CID 77075442) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
PubChem CID77075442
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1C=CC(=O)NCc1cnc[nH]1
InChIInChI=1S/C15H17N3O2/c1-11-3-5-14(20-2)12(7-11)4-6-15(19)17-9-13-8-16-10-18-13/h3-8,10H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyFYXSNCMNSIWMCM-UHFFFAOYSA-N
XLogP2.06
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 77022280
2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]acetic acid
CID 43241711
(E)-3-(2-methoxy-5-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 9483464
2-methoxy-3-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]propanoic acid
CID 106108090
3-(2-bromophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
CID 77075664
3-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]butanoic acid
CID 43242065
N-(1H-imidazol-5-ylmethyl)but-2-enamide
CID 77075616
N-(1H-imidazol-5-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 77075428
(E)-3-(5-bromo-2-methoxyphenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 8781214
(E)-3-(2-methoxy-5-methylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide
CID 35614601
(E)-3-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 78840707
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide (CID 77075442) is N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide is COc1ccc(C)cc1C=CC(=O)NCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The InChIKey is FYXSNCMNSIWMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-3-5-14(20-2)12(7-11)4-6-15(19)17-9-13-8-16-10-18-13/h3-8,10H,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 77075442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).