N-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide

C26H38N4O2 — CID 123721364

IUPACN-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide
SMILESC=CC=C(C)CN(C(=O)Cn1ccnc1C)C(C(=O)NC1CCCCC1)C(C=C)=C(C)C
InChIInChI=1S/C26H38N4O2/c1-7-12-20(5)17-30(24(31)18-29-16-15-27-21(29)6)25(23(8-2)19(3)4)26(32)28-22-13-10-9-11-14-22/h7-8,12,15-16,22,25H,1-2,9-11,13-14,17-18H2,3-6H3,(H,28,32)
InChIKeyATFOPHHCGGKDIO-UHFFFAOYSA-N
MW438.62 g/mol
LogP4.49
Rot. Bonds10

About N-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide

N-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide (PubChem CID 123721364) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is N-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide.

Molecular Properties

Compound NameN-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide
PubChem CID123721364
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC NameN-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide
SMILESC=CC=C(C)CN(C(=O)Cn1ccnc1C)C(C(=O)NC1CCCCC1)C(C=C)=C(C)C
InChIInChI=1S/C26H38N4O2/c1-7-12-20(5)17-30(24(31)18-29-16-15-27-21(29)6)25(23(8-2)19(3)4)26(32)28-22-13-10-9-11-14-22/h7-8,12,15-16,22,25H,1-2,9-11,13-14,17-18H2,3-6H3,(H,28,32)
InChIKeyATFOPHHCGGKDIO-UHFFFAOYSA-N
XLogP4.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide 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

3-(dimethylamino)-5-ethyl-6-methyl-4-[(1-methylimidazol-2-yl)methyl]-1H-pyridin-2-one
CID 486909
N-cyclohexyl[1-(3-imidazolylpropyl)-2-imino-10-methyl-5-oxo(1,6-dihydropyridin o[2,3-d]pyridino[1,2-a]pyrimidin-3-yl)]carboxamide
CID 4134273
N-(4-aminobutyl)-N-[2-[(2-amino-2-oxoethyl)-(3-imidazol-1-ylpropyl)amino]-2-oxoethyl]-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]acetamide
CID 145984371
N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide
CID 20885675
(4S)-N-ethyl-1-[(2E)-2-methylbut-2-en-1-yl]-4-{[(2-methyl-1H-imidazol-1-yl)acetyl]amino}-L-prolinamide
CID 72861842
N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 51079756
N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95141147
(3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide
CID 95552965
3-[2-(Cyclohexen-1-yl)ethyl]-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 122134309
1-ethyl-N-[(1-isopropyl-1H-imidazol-2-yl)methyl]-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 122562819
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-methylimidazol-1-yl)acetamide
CID 129608641
N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 132304801

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide?
The IUPAC name of N-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide (CID 123721364) is N-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide.
What is the SMILES notation for N-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide?
The canonical SMILES for N-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide is C=CC=C(C)CN(C(=O)Cn1ccnc1C)C(C(=O)NC1CCCCC1)C(C=C)=C(C)C.
What is the InChIKey of N-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide?
The InChIKey is ATFOPHHCGGKDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-7-12-20(5)17-30(24(31)18-29-16-15-27-21(29)6)25(23(8-2)19(3)4)26(32)28-22-13-10-9-11-14-22/h7-8,12,15-16,22,25H,1-2,9-11,13-14,17-18H2,3-6H3,(H,28,32).
What are the key properties of N-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide?
N-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide has a molecular weight of 438.62 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-ethenyl-4-methyl-2-[[2-(2-methylimidazol-1-yl)acetyl]-(2-methylpenta-2,4-dienyl)amino]pent-3-enamide is sourced from PubChem (CID 123721364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).