N-[(3-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide

C22H20N2O — CID 127030896

IUPACN-[(3-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide
SMILESCC(C)N(Cc1cccc(C#N)c1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H20N2O/c1-16(2)24(15-18-7-5-6-17(12-18)14-23)22(25)21-11-10-19-8-3-4-9-20(19)13-21/h3-13,16H,15H2,1-2H3
InChIKeyGQIIYTSZAOPUJZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.76
Rot. Bonds4

About N-[(3-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide

N-[(3-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide (PubChem CID 127030896) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide
PubChem CID127030896
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC NameN-[(3-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide
SMILESCC(C)N(Cc1cccc(C#N)c1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H20N2O/c1-16(2)24(15-18-7-5-6-17(12-18)14-23)22(25)21-11-10-19-8-3-4-9-20(19)13-21/h3-13,16H,15H2,1-2H3
InChIKeyGQIIYTSZAOPUJZ-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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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile
CID 230488
UR 8225
CID 198778
Bunaftine
CID 36131
2-Naphthalenyl-1-piperidinylmethanone
CID 593461
Naphthalen-2-yl(pyrrolidin-1-yl)methanone
CID 795353
Azonafide
CID 9948896
N-(1-benzylpiperidin-4-yl)naphthalene-2-carboxamide
CID 16725912
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 35295787
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 35296170
ZM-39923
CID 3797
ZM 39923-hydrochloride
CID 176406

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide (CID 127030896) is N-[(3-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide is CC(C)N(Cc1cccc(C#N)c1)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide?
The InChIKey is GQIIYTSZAOPUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-16(2)24(15-18-7-5-6-17(12-18)14-23)22(25)21-11-10-19-8-3-4-9-20(19)13-21/h3-13,16H,15H2,1-2H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide?
N-[(3-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-[(3-cyanophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 127030896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).