1-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylurea

C19H18N2O2 — CID 895322

IUPAC1-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylurea
SMILESCOc1ccc(CNC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C19H18N2O2/c1-23-16-11-9-14(10-12-16)13-20-19(22)21-18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,13H2,1H3,(H2,20,21,22)
InChIKeySTZXKGIQCSTMDA-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.17
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylurea

1-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylurea (PubChem CID 895322) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylurea
PubChem CID895322
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylurea
SMILESCOc1ccc(CNC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C19H18N2O2/c1-23-16-11-9-14(10-12-16)13-20-19(22)21-18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,13H2,1H3,(H2,20,21,22)
InChIKeySTZXKGIQCSTMDA-UHFFFAOYSA-N
XLogP4.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(4-Methoxyphenyl)-2,3-dihydro-1h-perimidine
CID 256655
1-(2-Methoxyphenyl)-3-naphthalen-2-ylurea
CID 443080
1-(2-Methoxyphenyl)-3-naphthalen-1-ylurea
CID 768067
N-[(4-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9155553
N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide
CID 24750189
2-(3-methoxyphenyl)-2,3-dihydro-1H-perimidine
CID 256656
2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine
CID 761632
1-(M-Anisyl)-3-benzylurea
CID 2822865
3-(M-Anisyl)-1,1-dibenzylurea
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CID 3717527

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylurea (CID 895322) is 1-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylurea is COc1ccc(CNC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylurea?
The InChIKey is STZXKGIQCSTMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-23-16-11-9-14(10-12-16)13-20-19(22)21-18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,13H2,1H3,(H2,20,21,22).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylurea?
1-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylurea has a molecular weight of 306.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 895322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).