5-(4-cyanophenyl)-3-propan-2-yloxynaphthalene-2-carboxamide

C21H18N2O2 — CID 126970816

IUPAC5-(4-cyanophenyl)-3-propan-2-yloxynaphthalene-2-carboxamide
SMILESCC(C)Oc1cc2c(-c3ccc(C#N)cc3)cccc2cc1C(N)=O
InChIInChI=1S/C21H18N2O2/c1-13(2)25-20-11-18-16(10-19(20)21(23)24)4-3-5-17(18)15-8-6-14(12-22)7-9-15/h3-11,13H,1-2H3,(H2,23,24)
InChIKeyIDCYKLUUMJIGRR-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.26
Rot. Bonds4

About 5-(4-cyanophenyl)-3-propan-2-yloxynaphthalene-2-carboxamide

5-(4-cyanophenyl)-3-propan-2-yloxynaphthalene-2-carboxamide (PubChem CID 126970816) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-3-propan-2-yloxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-3-propan-2-yloxynaphthalene-2-carboxamide
PubChem CID126970816
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name5-(4-cyanophenyl)-3-propan-2-yloxynaphthalene-2-carboxamide
SMILESCC(C)Oc1cc2c(-c3ccc(C#N)cc3)cccc2cc1C(N)=O
InChIInChI=1S/C21H18N2O2/c1-13(2)25-20-11-18-16(10-19(20)21(23)24)4-3-5-17(18)15-8-6-14(12-22)7-9-15/h3-11,13H,1-2H3,(H2,23,24)
InChIKeyIDCYKLUUMJIGRR-UHFFFAOYSA-N
XLogP4.26
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-3-propan-2-yloxynaphthalene-2-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-3-propan-2-yloxynaphthalene-2-carboxamide (CID 126970816) is 5-(4-cyanophenyl)-3-propan-2-yloxynaphthalene-2-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-3-propan-2-yloxynaphthalene-2-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-3-propan-2-yloxynaphthalene-2-carboxamide is CC(C)Oc1cc2c(-c3ccc(C#N)cc3)cccc2cc1C(N)=O.
What is the InChIKey of 5-(4-cyanophenyl)-3-propan-2-yloxynaphthalene-2-carboxamide?
The InChIKey is IDCYKLUUMJIGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-13(2)25-20-11-18-16(10-19(20)21(23)24)4-3-5-17(18)15-8-6-14(12-22)7-9-15/h3-11,13H,1-2H3,(H2,23,24).
What are the key properties of 5-(4-cyanophenyl)-3-propan-2-yloxynaphthalene-2-carboxamide?
5-(4-cyanophenyl)-3-propan-2-yloxynaphthalene-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-3-propan-2-yloxynaphthalene-2-carboxamide is sourced from PubChem (CID 126970816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).