N-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide

C25H37N3O — CID 42699338

IUPACN-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCCn1ccnc1)C/C(C)=C/c1ccccc1
InChIInChI=1S/C25H37N3O/c1-3-4-5-6-7-11-15-25(29)28(18-12-17-27-19-16-26-22-27)21-23(2)20-24-13-9-8-10-14-24/h8-10,13-14,16,19-20,22H,3-7,11-12,15,17-18,21H2,1-2H3/b23-20+
InChIKeyZTEXPDJMLRRDEN-BSYVCWPDSA-N
MW395.59 g/mol
LogP5.96
Rot. Bonds14

About N-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide

N-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide (PubChem CID 42699338) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide
PubChem CID42699338
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC NameN-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCCn1ccnc1)C/C(C)=C/c1ccccc1
InChIInChI=1S/C25H37N3O/c1-3-4-5-6-7-11-15-25(29)28(18-12-17-27-19-16-26-22-27)21-23(2)20-24-13-9-8-10-14-24/h8-10,13-14,16,19-20,22H,3-7,11-12,15,17-18,21H2,1-2H3/b23-20+
InChIKeyZTEXPDJMLRRDEN-BSYVCWPDSA-N
XLogP5.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide
CID 168943789
acetic acid;1-decylimidazole
CID 175546754
3-[3-imidazol-1-ylpropyl(pentanoyl)amino]-2-methylpropanoic acid
CID 82323590
carbonic acid;1-dodecylimidazole
CID 175596781
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-imidazol-1-ylpropyl)hexanamide
CID 42724139
CID 88515059
CID 88515059
3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid
CID 82328294
3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid
CID 82323160
1-nonylimidazole;hydrobromide
CID 175434544
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide
CID 42697546
2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid
CID 61021860

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide (CID 42699338) is N-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide is CCCCCCCCC(=O)N(CCCn1ccnc1)C/C(C)=C/c1ccccc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide?
The InChIKey is ZTEXPDJMLRRDEN-BSYVCWPDSA-N. The full InChI is InChI=1S/C25H37N3O/c1-3-4-5-6-7-11-15-25(29)28(18-12-17-27-19-16-26-22-27)21-23(2)20-24-13-9-8-10-14-24/h8-10,13-14,16,19-20,22H,3-7,11-12,15,17-18,21H2,1-2H3/b23-20+.
What are the key properties of N-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide?
N-(3-imidazol-1-ylpropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide has a molecular weight of 395.59 g/mol, XLogP of 5.96, 14 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-[(E)-2-methyl-3-phenylprop-2-enyl]nonanamide is sourced from PubChem (CID 42699338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).