1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea

C19H18N2O — CID 11403549

IUPAC1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea
SMILESCN(C(=O)N(C)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H18N2O/c1-20(16-11-4-3-5-12-16)19(22)21(2)18-14-8-10-15-9-6-7-13-17(15)18/h3-14H,1-2H3
InChIKeyGRNLZKVQDVGSFP-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.53
Rot. Bonds2

About 1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea

1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea (PubChem CID 11403549) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea.

Molecular Properties

Compound Name1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea
PubChem CID11403549
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea
SMILESCN(C(=O)N(C)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H18N2O/c1-20(16-11-4-3-5-12-16)19(22)21(2)18-14-8-10-15-9-6-7-13-17(15)18/h3-14H,1-2H3
InChIKeyGRNLZKVQDVGSFP-UHFFFAOYSA-N
XLogP4.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-naphthalen-1-ylbenzamide
CID 47382605
1,3-dimethyl-1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]urea
CID 102087616
2-hydroxy-N-methyl-N-naphthalen-1-ylacetamide
CID 115139787
N-methyl-N-naphthalen-1-yl-2-oxoacetamide
CID 115166156
3-amino-1-methyl-1-naphthalen-1-ylurea
CID 115192586
N,N-diphenylnaphthalen-1-amine
CID 11392281
1,3-dimethyl-1-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-3-phenylurea
CID 121485750
propyl N-methyl-N-naphthalen-1-ylcarbamate
CID 71338053
2-amino-N-methyl-2-naphthalen-1-yl-N-phenylacetamide
CID 22465041
2-[amino(naphthalen-1-yl)amino]propanoic acid
CID 68905230
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea?
The IUPAC name of 1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea (CID 11403549) is 1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea.
What is the SMILES notation for 1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea?
The canonical SMILES for 1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea is CN(C(=O)N(C)c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea?
The InChIKey is GRNLZKVQDVGSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-20(16-11-4-3-5-12-16)19(22)21(2)18-14-8-10-15-9-6-7-13-17(15)18/h3-14H,1-2H3.
What are the key properties of 1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea?
1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea has a molecular weight of 290.37 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea is sourced from PubChem (CID 11403549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).