4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide

C26H29N3O4 — CID 58727335

IUPAC4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)N(CC(=O)Nc2ccc(-c3cocn3)cc2)c2ccc(C)cc2)CC1
InChIInChI=1S/C26H29N3O4/c1-18-3-11-22(12-4-18)29(26(31)20-7-13-23(32-2)14-8-20)15-25(30)28-21-9-5-19(6-10-21)24-16-33-17-27-24/h3-6,9-12,16-17,20,23H,7-8,13-15H2,1-2H3,(H,28,30)
InChIKeyVVUSXKLXVMDJEW-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.83
Rot. Bonds7

About 4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide

4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide (PubChem CID 58727335) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide
PubChem CID58727335
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)N(CC(=O)Nc2ccc(-c3cocn3)cc2)c2ccc(C)cc2)CC1
InChIInChI=1S/C26H29N3O4/c1-18-3-11-22(12-4-18)29(26(31)20-7-13-23(32-2)14-8-20)15-25(30)28-21-9-5-19(6-10-21)24-16-33-17-27-24/h3-6,9-12,16-17,20,23H,7-8,13-15H2,1-2H3,(H,28,30)
InChIKeyVVUSXKLXVMDJEW-UHFFFAOYSA-N
XLogP4.83
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide
CID 58727334
N-(3,5-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,1-dioxothiane-4-carboxamide
CID 11663016
N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide
CID 58727323
N-(2-fluoro-4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiane-4-carboxamide
CID 90947373
N-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide
CID 58727343
N-(3,5-dimethylphenyl)-N-[2-[4-(1,2,4-oxadiazol-3-yl)anilino]-2-oxoethyl]thiane-4-carboxamide
CID 146419243
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(3,5-dimethylphenyl)-1,1-dioxothiane-4-carboxamide
CID 10076210
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863239
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753
methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176421
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
N-[2-[4-(1,2,4-oxadiazol-3-yl)anilino]-2-oxoethyl]-1,1-dioxo-N-(2,4,6-trimethylphenyl)thiane-4-carboxamide
CID 11540540

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide (CID 58727335) is 4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide is COC1CCC(C(=O)N(CC(=O)Nc2ccc(-c3cocn3)cc2)c2ccc(C)cc2)CC1.
What is the InChIKey of 4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide?
The InChIKey is VVUSXKLXVMDJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-18-3-11-22(12-4-18)29(26(31)20-7-13-23(32-2)14-8-20)15-25(30)28-21-9-5-19(6-10-21)24-16-33-17-27-24/h3-6,9-12,16-17,20,23H,7-8,13-15H2,1-2H3,(H,28,30).
What are the key properties of 4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide?
4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 58727335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).