(2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide

C19H27NO3 — CID 88923594

IUPAC(2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide
SMILESCCCCN(CCCC)C(=O)/C=C/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C19H27NO3/c1-3-5-13-20(14-6-4-2)19(23)10-8-7-9-16-11-12-17(21)18(22)15-16/h7-12,15,21-22H,3-6,13-14H2,1-2H3/b9-7+,10-8+
InChIKeyIJNRKZZVLWSRHK-FIFLTTCUSA-N
MW317.43 g/mol
LogP4.10
Rot. Bonds9

About (2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide

(2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide (PubChem CID 88923594) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide
PubChem CID88923594
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide
SMILESCCCCN(CCCC)C(=O)/C=C/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C19H27NO3/c1-3-5-13-20(14-6-4-2)19(23)10-8-7-9-16-11-12-17(21)18(22)15-16/h7-12,15,21-22H,3-6,13-14H2,1-2H3/b9-7+,10-8+
InChIKeyIJNRKZZVLWSRHK-FIFLTTCUSA-N
XLogP4.10
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide
CID 6163313
1,7-bis(3,4-dihydroxyphenyl)-4-heptylhepta-1,6-diene-3,5-dione
CID 175469771
(E)-N-butyl-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 15086373
(E)-N-[4-[3-aminopropyl-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]butyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 176514699
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-butyl-N-methylpenta-2,4-dienamide
CID 53302838
decyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 71391747
hentriacontyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 71375800
heptyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 12034742
tricosyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 162975742
4-[(E)-hept-1-enyl]benzene-1,2-diol
CID 19968505
5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide
CID 123527909
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide
CID 90335471

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide?
The IUPAC name of (2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide (CID 88923594) is (2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide is CCCCN(CCCC)C(=O)/C=C/C=C/c1ccc(O)c(O)c1.
What is the InChIKey of (2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide?
The InChIKey is IJNRKZZVLWSRHK-FIFLTTCUSA-N. The full InChI is InChI=1S/C19H27NO3/c1-3-5-13-20(14-6-4-2)19(23)10-8-7-9-16-11-12-17(21)18(22)15-16/h7-12,15,21-22H,3-6,13-14H2,1-2H3/b9-7+,10-8+.
What are the key properties of (2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide?
(2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide has a molecular weight of 317.43 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N,N-dibutyl-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide is sourced from PubChem (CID 88923594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).