N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide

C17H21N3O — CID 76868468

IUPACN-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide
SMILESCc1nccn1CC(C)CNC(=O)C=Cc1ccccc1
InChIInChI=1S/C17H21N3O/c1-14(13-20-11-10-18-15(20)2)12-19-17(21)9-8-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,19,21)
InChIKeyLMQQAOJHMTYMJP-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.66
Rot. Bonds6

About N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide

N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide (PubChem CID 76868468) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide
PubChem CID76868468
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide
SMILESCc1nccn1CC(C)CNC(=O)C=Cc1ccccc1
InChIInChI=1S/C17H21N3O/c1-14(13-20-11-10-18-15(20)2)12-19-17(21)9-8-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,19,21)
InChIKeyLMQQAOJHMTYMJP-UHFFFAOYSA-N
XLogP2.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-naphthalen-1-ylprop-2-enamide
CID 60559194
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride
CID 120595719
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 119857841
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111435084
(E)-N-(2-aminopropyl)-3-phenylprop-2-enamide
CID 63733129
3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 120612579
1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119857869
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 110911491
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111618731
2-imino-4-methyl-5-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid
CID 174690155
4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 120595717
5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide
CID 120644394

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide (CID 76868468) is N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide is Cc1nccn1CC(C)CNC(=O)C=Cc1ccccc1.
What is the InChIKey of N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide?
The InChIKey is LMQQAOJHMTYMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-14(13-20-11-10-18-15(20)2)12-19-17(21)9-8-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide?
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide has a molecular weight of 283.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 76868468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).