6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide

C34H64N4O2 — CID 59045932

IUPAC6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide
SMILESCCCCCCCCCCCCCCCCC(C)NC(=O)C(C)CC(CC(CC)C(=O)NC(C)C)n1ccnc1
InChIInChI=1S/C34H64N4O2/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(6)37-33(39)29(5)25-32(38-24-23-35-27-38)26-31(8-2)34(40)36-28(3)4/h23-24,27-32H,7-22,25-26H2,1-6H3,(H,36,40)(H,37,39)
InChIKeyLRQGDNCWBWVXHV-UHFFFAOYSA-N
MW560.91 g/mol
LogP8.77
Rot. Bonds25

About 6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide

6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide (PubChem CID 59045932) has the molecular formula C34H64N4O2 and a molecular weight of 560.91 g/mol. Its IUPAC name is 6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide.

Molecular Properties

Compound Name6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide
PubChem CID59045932
Molecular FormulaC34H64N4O2
Molecular Weight560.91 g/mol
Exact Mass560.50
IUPAC Name6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide
SMILESCCCCCCCCCCCCCCCCC(C)NC(=O)C(C)CC(CC(CC)C(=O)NC(C)C)n1ccnc1
InChIInChI=1S/C34H64N4O2/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(6)37-33(39)29(5)25-32(38-24-23-35-27-38)26-31(8-2)34(40)36-28(3)4/h23-24,27-32H,7-22,25-26H2,1-6H3,(H,36,40)(H,37,39)
InChIKeyLRQGDNCWBWVXHV-UHFFFAOYSA-N
XLogP8.77
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.91
LogP ≤ 58.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[[4,6-di(imidazol-1-yl)-2-methyloctanoyl]amino]methyl]-4,6-di(imidazol-1-yl)-2-methyloctanamide
CID 176729128
10-imidazol-1-yloctadecanoic acid
CID 86691655
1-docosan-5-ylimidazole
CID 135305816
carbonic acid;1-nonan-2-ylimidazole
CID 175092771
1-octadecan-4-ylimidazole
CID 174516132
3-imidazol-1-yldodecan-1-ol
CID 174685778
2-imidazol-1-yltridecanoic acid
CID 69479791
3-imidazol-1-yl-N-propyloctanamide
CID 67900552
formic acid;1-octan-2-ylimidazole
CID 175596795
1-(1-phenyltridecan-3-yl)imidazole
CID 69387283
1-heptan-3-ylimidazole;hydrobromide
CID 174803482
(2S)-2-(3-imidazol-1-ylhexanoylamino)hexanoic acid
CID 107144043

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide?
The IUPAC name of 6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide (CID 59045932) is 6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide.
What is the SMILES notation for 6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide?
The canonical SMILES for 6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide is CCCCCCCCCCCCCCCCC(C)NC(=O)C(C)CC(CC(CC)C(=O)NC(C)C)n1ccnc1.
What is the InChIKey of 6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide?
The InChIKey is LRQGDNCWBWVXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64N4O2/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(6)37-33(39)29(5)25-32(38-24-23-35-27-38)26-31(8-2)34(40)36-28(3)4/h23-24,27-32H,7-22,25-26H2,1-6H3,(H,36,40)(H,37,39).
What are the key properties of 6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide?
6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide has a molecular weight of 560.91 g/mol, XLogP of 8.77, 25 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-imidazol-1-yl-2-methyl-N-octadecan-2-yl-N'-propan-2-ylheptanediamide is sourced from PubChem (CID 59045932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).