N-[(4-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide

C22H20N2O — CID 127030016

IUPACN-[(4-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide
SMILESCC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H20N2O/c1-16(2)24(15-18-9-7-17(14-23)8-10-18)22(25)21-12-11-19-5-3-4-6-20(19)13-21/h3-13,16H,15H2,1-2H3
InChIKeyOKOMIXSLCIGDKZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.76
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide

N-[(4-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide (PubChem CID 127030016) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide
PubChem CID127030016
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC NameN-[(4-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide
SMILESCC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H20N2O/c1-16(2)24(15-18-9-7-17(14-23)8-10-18)22(25)21-12-11-19-5-3-4-6-20(19)13-21/h3-13,16H,15H2,1-2H3
InChIKeyOKOMIXSLCIGDKZ-UHFFFAOYSA-N
XLogP4.76
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide (CID 127030016) is N-[(4-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide is CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide?
The InChIKey is OKOMIXSLCIGDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-16(2)24(15-18-9-7-17(14-23)8-10-18)22(25)21-12-11-19-5-3-4-6-20(19)13-21/h3-13,16H,15H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide?
N-[(4-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 127030016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).