1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea

C22H24N2O2 — CID 52666869

IUPAC1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea
SMILESO=C(NCCCOCCc1ccccc1)Nc1cccc2ccccc12
InChIInChI=1S/C22H24N2O2/c25-22(24-21-13-6-11-19-10-4-5-12-20(19)21)23-15-7-16-26-17-14-18-8-2-1-3-9-18/h1-6,8-13H,7,14-17H2,(H2,23,24,25)
InChIKeyBPZRCLVOHZCOTK-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.61
Rot. Bonds8

About 1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea

1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea (PubChem CID 52666869) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea
PubChem CID52666869
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea
SMILESO=C(NCCCOCCc1ccccc1)Nc1cccc2ccccc12
InChIInChI=1S/C22H24N2O2/c25-22(24-21-13-6-11-19-10-4-5-12-20(19)21)23-15-7-16-26-17-14-18-8-2-1-3-9-18/h1-6,8-13H,7,14-17H2,(H2,23,24,25)
InChIKeyBPZRCLVOHZCOTK-UHFFFAOYSA-N
XLogP4.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yl-3-(2-phenylethoxy)urea
CID 5119624
1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea
CID 47050815
1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea
CID 108883534
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-naphthalen-1-yl-3-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]urea
CID 4919473
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
CID 119298276
1-[3-(1-adamantyloxy)propyl]-3-naphthalen-1-ylurea
CID 4916609
1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60543843
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097
(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide
CID 119739711
1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea
CID 108871644

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea?
The IUPAC name of 1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea (CID 52666869) is 1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea?
The canonical SMILES for 1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea is O=C(NCCCOCCc1ccccc1)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea?
The InChIKey is BPZRCLVOHZCOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-22(24-21-13-6-11-19-10-4-5-12-20(19)21)23-15-7-16-26-17-14-18-8-2-1-3-9-18/h1-6,8-13H,7,14-17H2,(H2,23,24,25).
What are the key properties of 1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea?
1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea has a molecular weight of 348.45 g/mol, XLogP of 4.61, 8 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-[3-(2-phenylethoxy)propyl]urea is sourced from PubChem (CID 52666869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).