1-naphthalen-1-yl-3-(2-propoxyphenyl)urea

C20H20N2O2 — CID 2067216

IUPAC1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H20N2O2/c1-2-14-24-19-13-6-5-11-18(19)22-20(23)21-17-12-7-9-15-8-3-4-10-16(15)17/h3-13H,2,14H2,1H3,(H2,21,22,23)
InChIKeyUJGWZTZNKUBGEP-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.27
Rot. Bonds5

About 1-naphthalen-1-yl-3-(2-propoxyphenyl)urea

1-naphthalen-1-yl-3-(2-propoxyphenyl)urea (PubChem CID 2067216) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(2-propoxyphenyl)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
PubChem CID2067216
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H20N2O2/c1-2-14-24-19-13-6-5-11-18(19)22-20(23)21-17-12-7-9-15-8-3-4-10-16(15)17/h3-13H,2,14H2,1H3,(H2,21,22,23)
InChIKeyUJGWZTZNKUBGEP-UHFFFAOYSA-N
XLogP5.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(2-butoxyphenyl)urea
CID 17170447
N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide
CID 4089044
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea
CID 110911298
1-(4-butoxyphenyl)-3-naphthalen-1-ylurea
CID 4146159
1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
CID 38197539
3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid
CID 122074318
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea
CID 110890857

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(2-propoxyphenyl)urea?
The IUPAC name of 1-naphthalen-1-yl-3-(2-propoxyphenyl)urea (CID 2067216) is 1-naphthalen-1-yl-3-(2-propoxyphenyl)urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(2-propoxyphenyl)urea?
The canonical SMILES for 1-naphthalen-1-yl-3-(2-propoxyphenyl)urea is CCCOc1ccccc1NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-(2-propoxyphenyl)urea?
The InChIKey is UJGWZTZNKUBGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-14-24-19-13-6-5-11-18(19)22-20(23)21-17-12-7-9-15-8-3-4-10-16(15)17/h3-13H,2,14H2,1H3,(H2,21,22,23).
What are the key properties of 1-naphthalen-1-yl-3-(2-propoxyphenyl)urea?
1-naphthalen-1-yl-3-(2-propoxyphenyl)urea has a molecular weight of 320.39 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(2-propoxyphenyl)urea is sourced from PubChem (CID 2067216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).