1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea

C23H24N4O — CID 78894452

IUPAC1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea
SMILESCN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H24N4O/c1-26(2)14-15-27(17-19-12-10-18(16-24)11-13-19)23(28)25-22-9-5-7-20-6-3-4-8-21(20)22/h3-13H,14-15,17H2,1-2H3,(H,25,28)
InChIKeyYLEPTTCLAYCTJE-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.31
Rot. Bonds6

About 1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea

1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea (PubChem CID 78894452) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea
PubChem CID78894452
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea
SMILESCN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H24N4O/c1-26(2)14-15-27(17-19-12-10-18(16-24)11-13-19)23(28)25-22-9-5-7-20-6-3-4-8-21(20)22/h3-13H,14-15,17H2,1-2H3,(H,25,28)
InChIKeyYLEPTTCLAYCTJE-UHFFFAOYSA-N
XLogP4.31
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 39858954
2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 60577554
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide
CID 55717328
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide
CID 60573923
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzonitrile
CID 55149643
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide
CID 55717458
1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
CID 23931180
1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
CID 19835720
3-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]sulfanylpropanamide
CID 56587087
1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea
CID 4067846
4-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide
CID 55717266
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
CID 79378172

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea (CID 78894452) is 1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea is CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea?
The InChIKey is YLEPTTCLAYCTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-26(2)14-15-27(17-19-12-10-18(16-24)11-13-19)23(28)25-22-9-5-7-20-6-3-4-8-21(20)22/h3-13H,14-15,17H2,1-2H3,(H,25,28).
What are the key properties of 1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea?
1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea has a molecular weight of 372.47 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 78894452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).