N-(3-imidazol-1-ylpropyl)-2-(2-methylprop-1-enyl)-3-prop-1-en-2-ylhexa-2,4-dienamide

C19H27N3O — CID 123581719

IUPACN-(3-imidazol-1-ylpropyl)-2-(2-methylprop-1-enyl)-3-prop-1-en-2-ylhexa-2,4-dienamide
SMILESC=C(C)C(C=CC)=C(C=C(C)C)C(=O)NCCCn1ccnc1
InChIInChI=1S/C19H27N3O/c1-6-8-17(16(4)5)18(13-15(2)3)19(23)21-9-7-11-22-12-10-20-14-22/h6,8,10,12-14H,4,7,9,11H2,1-3,5H3,(H,21,23)
InChIKeySHMTUUZDQWQODG-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.80
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-(2-methylprop-1-enyl)-3-prop-1-en-2-ylhexa-2,4-dienamide

N-(3-imidazol-1-ylpropyl)-2-(2-methylprop-1-enyl)-3-prop-1-en-2-ylhexa-2,4-dienamide (PubChem CID 123581719) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(2-methylprop-1-enyl)-3-prop-1-en-2-ylhexa-2,4-dienamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(2-methylprop-1-enyl)-3-prop-1-en-2-ylhexa-2,4-dienamide
PubChem CID123581719
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(2-methylprop-1-enyl)-3-prop-1-en-2-ylhexa-2,4-dienamide
SMILESC=C(C)C(C=CC)=C(C=C(C)C)C(=O)NCCCn1ccnc1
InChIInChI=1S/C19H27N3O/c1-6-8-17(16(4)5)18(13-15(2)3)19(23)21-9-7-11-22-12-10-20-14-22/h6,8,10,12-14H,4,7,9,11H2,1-3,5H3,(H,21,23)
InChIKeySHMTUUZDQWQODG-UHFFFAOYSA-N
XLogP3.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1H-imidazol-2-yl)-1,3-dimethyl-2(1h)-pyridinone
CID 134306034
1,3-Dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one
CID 134306039
5-ethyl-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 44271288
6-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 72047209
5-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 72144088
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
[1-(3-imidazolylpropyl)-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d]pyri dino[1,2-a]pyrimidin-3-yl)]-N-prop-2-enylcarboxamide
CID 3152469
1-[3-(1H-imidazol-1-yl)propyl]-2-imino-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
CID 1080219
N-(2-(2-methyl-1H-imidazol-1-yl)ethyl)pent-4-enamide
CID 52992831
N-(6-hydroxynicotinyl)-imidazole
CID 69980218
N-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71941121
N-(3-imidazol-1-ylpropyl)-N-methyl-2-propylpent-2-enamide
CID 91943736

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(2-methylprop-1-enyl)-3-prop-1-en-2-ylhexa-2,4-dienamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(2-methylprop-1-enyl)-3-prop-1-en-2-ylhexa-2,4-dienamide (CID 123581719) is N-(3-imidazol-1-ylpropyl)-2-(2-methylprop-1-enyl)-3-prop-1-en-2-ylhexa-2,4-dienamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(2-methylprop-1-enyl)-3-prop-1-en-2-ylhexa-2,4-dienamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(2-methylprop-1-enyl)-3-prop-1-en-2-ylhexa-2,4-dienamide is C=C(C)C(C=CC)=C(C=C(C)C)C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(2-methylprop-1-enyl)-3-prop-1-en-2-ylhexa-2,4-dienamide?
The InChIKey is SHMTUUZDQWQODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-6-8-17(16(4)5)18(13-15(2)3)19(23)21-9-7-11-22-12-10-20-14-22/h6,8,10,12-14H,4,7,9,11H2,1-3,5H3,(H,21,23).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(2-methylprop-1-enyl)-3-prop-1-en-2-ylhexa-2,4-dienamide?
N-(3-imidazol-1-ylpropyl)-2-(2-methylprop-1-enyl)-3-prop-1-en-2-ylhexa-2,4-dienamide has a molecular weight of 313.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(2-methylprop-1-enyl)-3-prop-1-en-2-ylhexa-2,4-dienamide is sourced from PubChem (CID 123581719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).