N-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide

C25H36N4O2 — CID 123408468

IUPACN-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide
SMILESC=CC=C(C)CN(C(=O)Cn1ccnc1)C(C(=O)NC1CCCCC1)C(C=C)=C(C)C
InChIInChI=1S/C25H36N4O2/c1-6-11-20(5)16-29(23(30)17-28-15-14-26-18-28)24(22(7-2)19(3)4)25(31)27-21-12-9-8-10-13-21/h6-7,11,14-15,18,21,24H,1-2,8-10,12-13,16-17H2,3-5H3,(H,27,31)
InChIKeyRDNYQQRRIYDMGK-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.18
Rot. Bonds10

About N-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide

N-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide (PubChem CID 123408468) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide.

Molecular Properties

Compound NameN-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide
PubChem CID123408468
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC NameN-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide
SMILESC=CC=C(C)CN(C(=O)Cn1ccnc1)C(C(=O)NC1CCCCC1)C(C=C)=C(C)C
InChIInChI=1S/C25H36N4O2/c1-6-11-20(5)16-29(23(30)17-28-15-14-26-18-28)24(22(7-2)19(3)4)25(31)27-21-12-9-8-10-13-21/h6-7,11,14-15,18,21,24H,1-2,8-10,12-13,16-17H2,3-5H3,(H,27,31)
InChIKeyRDNYQQRRIYDMGK-UHFFFAOYSA-N
XLogP4.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-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-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 51079756
N-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71941121
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
N-[(2S)-2-imidazol-1-ylpropyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 126450123
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-methylimidazol-1-yl)acetamide
CID 129608641
5-[3-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 132319058
(6E)-6-(aminomethylidene)-5-[1-(2-cyclohexa-1,3-dien-1-ylimidazol-1-yl)ethenylimino]-4-(3-fluoropropyl)-1-methylpiperazin-2-one
CID 69914790
(Z,2E)-3-amino-N-cyclohexyl-2-[(Z)-1-imidazol-1-ylbut-1-enyl]imino-5-imino-4-methylpent-3-enamide;2,2,2-trifluoroethanamine
CID 155598535

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide?
The IUPAC name of N-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide (CID 123408468) is N-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide.
What is the SMILES notation for N-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide?
The canonical SMILES for N-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide is C=CC=C(C)CN(C(=O)Cn1ccnc1)C(C(=O)NC1CCCCC1)C(C=C)=C(C)C.
What is the InChIKey of N-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide?
The InChIKey is RDNYQQRRIYDMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-6-11-20(5)16-29(23(30)17-28-15-14-26-18-28)24(22(7-2)19(3)4)25(31)27-21-12-9-8-10-13-21/h6-7,11,14-15,18,21,24H,1-2,8-10,12-13,16-17H2,3-5H3,(H,27,31).
What are the key properties of N-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide?
N-cyclohexyl-3-ethenyl-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide has a molecular weight of 424.59 g/mol, XLogP of 4.18, 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-2-[(2-imidazol-1-ylacetyl)-(2-methylpenta-2,4-dienyl)amino]-4-methylpent-3-enamide is sourced from PubChem (CID 123408468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).