N-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide

C15H25N3O — CID 91943736

IUPACN-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide
SMILESCCC=C(CCC)C(=O)N(C)CCCn1ccnc1
InChIInChI=1S/C15H25N3O/c1-4-7-14(8-5-2)15(19)17(3)10-6-11-18-12-9-16-13-18/h7,9,12-13H,4-6,8,10-11H2,1-3H3
InChIKeyAYIAUILNDUHWQH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.87
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide

N-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide (PubChem CID 91943736) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide
PubChem CID91943736
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide
SMILESCCC=C(CCC)C(=O)N(C)CCCn1ccnc1
InChIInChI=1S/C15H25N3O/c1-4-7-14(8-5-2)15(19)17(3)10-6-11-18-12-9-16-13-18/h7,9,12-13H,4-6,8,10-11H2,1-3H3
InChIKeyAYIAUILNDUHWQH-UHFFFAOYSA-N
XLogP2.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide (CID 91943736) is N-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide is CCC=C(CCC)C(=O)N(C)CCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide?
The InChIKey is AYIAUILNDUHWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-7-14(8-5-2)15(19)17(3)10-6-11-18-12-9-16-13-18/h7,9,12-13H,4-6,8,10-11H2,1-3H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide?
N-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide has a molecular weight of 263.38 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide is sourced from PubChem (CID 91943736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).