1-[4-(diethylamino)phenyl]-3-naphthalen-1-ylurea

C21H23N3O — CID 2811478

IUPAC1-[4-(diethylamino)phenyl]-3-naphthalen-1-ylurea
SMILESCCN(CC)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C21H23N3O/c1-3-24(4-2)18-14-12-17(13-15-18)22-21(25)23-20-11-7-9-16-8-5-6-10-19(16)20/h5-15H,3-4H2,1-2H3,(H2,22,23,25)
InChIKeyMNKUYSLFTNHOJN-UHFFFAOYSA-N
MW333.44 g/mol
LogP5.33
Rot. Bonds5

About 1-[4-(diethylamino)phenyl]-3-naphthalen-1-ylurea

1-[4-(diethylamino)phenyl]-3-naphthalen-1-ylurea (PubChem CID 2811478) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-naphthalen-1-ylurea
PubChem CID2811478
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-[4-(diethylamino)phenyl]-3-naphthalen-1-ylurea
SMILESCCN(CC)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C21H23N3O/c1-3-24(4-2)18-14-12-17(13-15-18)22-21(25)23-20-11-7-9-16-8-5-6-10-19(16)20/h5-15H,3-4H2,1-2H3,(H2,22,23,25)
InChIKeyMNKUYSLFTNHOJN-UHFFFAOYSA-N
XLogP5.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.44
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Tideglusib
CID 11313622
Aptiganel Hydrochloride
CID 60839
1-Benzyl-3-(1-naphthyl)urea
CID 668231
Aptiganel
CID 60840
Urea, N,N''-1,5-naphthalenediylbis[N',N'-dimethyl-
CID 99645
1-(Naphthalen-2-yl)-3-phenylurea
CID 239526
1-Naphthylurea
CID 81387
1-(1-Naphthyl)-3-(P-tolyl)urea
CID 295006
1-Piperazinecarboxylic acid, 4-(1-naphthylcarbamoyl)-, ethyl ester
CID 379219
2(1H)-Pyrimidinethione, 3,4-dihydro-1-(alpha-naphthyl)-4,4,6-trimethyl-
CID 704287
2-p-Tolyl-2,3-dihydro-1H-perimidine
CID 727034
2-(3-methylphenyl)-2,3-dihydro-1H-perimidine
CID 761639

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-naphthalen-1-ylurea (CID 2811478) is 1-[4-(diethylamino)phenyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-naphthalen-1-ylurea is CCN(CC)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-naphthalen-1-ylurea?
The InChIKey is MNKUYSLFTNHOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-24(4-2)18-14-12-17(13-15-18)22-21(25)23-20-11-7-9-16-8-5-6-10-19(16)20/h5-15H,3-4H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[4-(diethylamino)phenyl]-3-naphthalen-1-ylurea?
1-[4-(diethylamino)phenyl]-3-naphthalen-1-ylurea has a molecular weight of 333.44 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 2811478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).