N,N-diethyl-4-phenylnaphthalene-2-carboxamide

C21H21NO — CID 13272349

IUPACN,N-diethyl-4-phenylnaphthalene-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccccc2)c2ccccc2c1
InChIInChI=1S/C21H21NO/c1-3-22(4-2)21(23)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3
InChIKeyLDBRJKPODPREDJ-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.99
Rot. Bonds4

About N,N-diethyl-4-phenylnaphthalene-2-carboxamide

N,N-diethyl-4-phenylnaphthalene-2-carboxamide (PubChem CID 13272349) has the molecular formula C21H21NO and a molecular weight of 303.40 g/mol. Its IUPAC name is N,N-diethyl-4-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-phenylnaphthalene-2-carboxamide
PubChem CID13272349
Molecular FormulaC21H21NO
Molecular Weight303.40 g/mol
Exact Mass303.16
IUPAC NameN,N-diethyl-4-phenylnaphthalene-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccccc2)c2ccccc2c1
InChIInChI=1S/C21H21NO/c1-3-22(4-2)21(23)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3
InChIKeyLDBRJKPODPREDJ-UHFFFAOYSA-N
XLogP4.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-phenylnaphthalene-2-carboxamide?
The IUPAC name of N,N-diethyl-4-phenylnaphthalene-2-carboxamide (CID 13272349) is N,N-diethyl-4-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-phenylnaphthalene-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-phenylnaphthalene-2-carboxamide is CCN(CC)C(=O)c1cc(-c2ccccc2)c2ccccc2c1.
What is the InChIKey of N,N-diethyl-4-phenylnaphthalene-2-carboxamide?
The InChIKey is LDBRJKPODPREDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-3-22(4-2)21(23)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-phenylnaphthalene-2-carboxamide?
N,N-diethyl-4-phenylnaphthalene-2-carboxamide has a molecular weight of 303.40 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 13272349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).