1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea

C22H24N2O2 — CID 90524671

IUPAC1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C22H24N2O2/c25-21(20-12-6-10-18-9-4-5-11-19(18)20)14-16-24-22(26)23-15-13-17-7-2-1-3-8-17/h1-12,21,25H,13-16H2,(H2,23,24,26)
InChIKeyYSFVDKWYDXRFFE-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.81
Rot. Bonds7

About 1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea

1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea (PubChem CID 90524671) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea
PubChem CID90524671
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C22H24N2O2/c25-21(20-12-6-10-18-9-4-5-11-19(18)20)14-16-24-22(26)23-15-13-17-7-2-1-3-8-17/h1-12,21,25H,13-16H2,(H2,23,24,26)
InChIKeyYSFVDKWYDXRFFE-UHFFFAOYSA-N
XLogP3.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide
CID 90524502
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524323
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
CID 90524453
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide
CID 71787908
N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
CID 90524322
N-(3-hydroxy-3-naphthalen-1-ylpropyl)cyclopropanecarboxamide
CID 71787907
1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506398
N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide
CID 90524337
3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide
CID 90524456
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497488
N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide
CID 90524399
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide
CID 90524589

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea (CID 90524671) is 1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NCCC(O)c1cccc2ccccc12.
What is the InChIKey of 1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea?
The InChIKey is YSFVDKWYDXRFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-21(20-12-6-10-18-9-4-5-11-19(18)20)14-16-24-22(26)23-15-13-17-7-2-1-3-8-17/h1-12,21,25H,13-16H2,(H2,23,24,26).
What are the key properties of 1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea?
1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea has a molecular weight of 348.45 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 90524671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).