N-cyclohexyl-4-(3,4-dihydroxyphenyl)-N-pyridin-2-ylbutanamide

C21H26N2O3 — CID 89471652

IUPACN-cyclohexyl-4-(3,4-dihydroxyphenyl)-N-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccc(O)c(O)c1)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C21H26N2O3/c24-18-13-12-16(15-19(18)25)7-6-11-21(26)23(17-8-2-1-3-9-17)20-10-4-5-14-22-20/h4-5,10,12-15,17,24-25H,1-3,6-9,11H2
InChIKeyVZXQOVGABQPLMI-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.18
Rot. Bonds6

About N-cyclohexyl-4-(3,4-dihydroxyphenyl)-N-pyridin-2-ylbutanamide

N-cyclohexyl-4-(3,4-dihydroxyphenyl)-N-pyridin-2-ylbutanamide (PubChem CID 89471652) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cyclohexyl-4-(3,4-dihydroxyphenyl)-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3,4-dihydroxyphenyl)-N-pyridin-2-ylbutanamide
PubChem CID89471652
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-cyclohexyl-4-(3,4-dihydroxyphenyl)-N-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccc(O)c(O)c1)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C21H26N2O3/c24-18-13-12-16(15-19(18)25)7-6-11-21(26)23(17-8-2-1-3-9-17)20-10-4-5-14-22-20/h4-5,10,12-15,17,24-25H,1-3,6-9,11H2
InChIKeyVZXQOVGABQPLMI-UHFFFAOYSA-N
XLogP4.18
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclohexyl-4-(3,4-dihydroxyphenyl)-2-methyl-N-pyridin-2-ylbut-2-enamide
CID 89471645
N-cyclopropyl-N-pyridin-2-ylpentanamide
CID 110723068
(E)-N-cyclohexyl-2-(3,4-dihydroxyphenyl)-N-pyridin-2-ylpent-3-enamide
CID 89471466
N-cyclohexyl-2-(3,4-dihydroxyphenyl)-N-pyridin-2-ylpent-3-ynamide
CID 89471460
benzyl N-cyclopropyl-N-pyridin-2-ylcarbamate
CID 110723115
4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide
CID 123627108
4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylbut-3-enamide
CID 123580869
(E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide
CID 800217
N-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide
CID 122138030
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
CID 63391462
5-chloro-N-cyclopentyl-N-pyridin-2-ylthiophene-3-carboxamide
CID 122143545
N-cyclopentyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-ylbutanamide
CID 71967622

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3,4-dihydroxyphenyl)-N-pyridin-2-ylbutanamide?
The IUPAC name of N-cyclohexyl-4-(3,4-dihydroxyphenyl)-N-pyridin-2-ylbutanamide (CID 89471652) is N-cyclohexyl-4-(3,4-dihydroxyphenyl)-N-pyridin-2-ylbutanamide.
What is the SMILES notation for N-cyclohexyl-4-(3,4-dihydroxyphenyl)-N-pyridin-2-ylbutanamide?
The canonical SMILES for N-cyclohexyl-4-(3,4-dihydroxyphenyl)-N-pyridin-2-ylbutanamide is O=C(CCCc1ccc(O)c(O)c1)N(c1ccccn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(3,4-dihydroxyphenyl)-N-pyridin-2-ylbutanamide?
The InChIKey is VZXQOVGABQPLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-18-13-12-16(15-19(18)25)7-6-11-21(26)23(17-8-2-1-3-9-17)20-10-4-5-14-22-20/h4-5,10,12-15,17,24-25H,1-3,6-9,11H2.
What are the key properties of N-cyclohexyl-4-(3,4-dihydroxyphenyl)-N-pyridin-2-ylbutanamide?
N-cyclohexyl-4-(3,4-dihydroxyphenyl)-N-pyridin-2-ylbutanamide has a molecular weight of 354.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3,4-dihydroxyphenyl)-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 89471652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).