N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide

C20H16N2O — CID 43823022

IUPACN-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
SMILESN#CCCN(C(=O)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H16N2O/c21-14-7-15-22(17-10-2-1-3-11-17)20(23)19-13-6-9-16-8-4-5-12-18(16)19/h1-6,8-13H,7,15H2
InChIKeyMMJYEXOXTILLKR-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.40
Rot. Bonds4

About N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide

N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide (PubChem CID 43823022) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
PubChem CID43823022
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC NameN-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
SMILESN#CCCN(C(=O)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H16N2O/c21-14-7-15-22(17-10-2-1-3-11-17)20(23)19-13-6-9-16-8-4-5-12-18(16)19/h1-6,8-13H,7,15H2
InChIKeyMMJYEXOXTILLKR-UHFFFAOYSA-N
XLogP4.40
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-2-hydroxy-3-methyl-N-phenylbenzamide
CID 24708338
3-amino-2-chloro-N-(2-cyanoethyl)-N-phenylbenzamide
CID 115930125
1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea
CID 20787233
N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
CID 24694454
N-(2-cyanoethyl)-2,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 62830086
N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide
CID 60570475
N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide
CID 107721972
N-fluoro-N-phenylnaphthalene-1-carboxamide
CID 90862687
N-(2-cyanoethyl)-2-hydroxy-5-iodo-N-phenylbenzamide
CID 103520576
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
N-(cyanomethyl)-2-methyl-N-phenylbenzamide
CID 82131459
N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
CID 2429232

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide (CID 43823022) is N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide is N#CCCN(C(=O)c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide?
The InChIKey is MMJYEXOXTILLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c21-14-7-15-22(17-10-2-1-3-11-17)20(23)19-13-6-9-16-8-4-5-12-18(16)19/h1-6,8-13H,7,15H2.
What are the key properties of N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide?
N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide is sourced from PubChem (CID 43823022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).