1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea

C20H20N2O3 — CID 54481028

IUPAC1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea
SMILESCC(c1ccc2cc(OCc3ccccc3)ccc2c1)N(O)C(N)=O
InChIInChI=1S/C20H20N2O3/c1-14(22(24)20(21)23)16-7-8-18-12-19(10-9-17(18)11-16)25-13-15-5-3-2-4-6-15/h2-12,14,24H,13H2,1H3,(H2,21,23)
InChIKeyXOZTYNCUPLBICJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.25
Rot. Bonds5

About 1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea

1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea (PubChem CID 54481028) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea
PubChem CID54481028
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea
SMILESCC(c1ccc2cc(OCc3ccccc3)ccc2c1)N(O)C(N)=O
InChIInChI=1S/C20H20N2O3/c1-14(22(24)20(21)23)16-7-8-18-12-19(10-9-17(18)11-16)25-13-15-5-3-2-4-6-15/h2-12,14,24H,13H2,1H3,(H2,21,23)
InChIKeyXOZTYNCUPLBICJ-UHFFFAOYSA-N
XLogP4.25
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-methyl-N-[1-(4-phenylmethoxyphenyl)ethyl]propanamide
CID 14156768
[carbamoyl-[1-(4-phenylmethoxyphenyl)ethyl]amino] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54446740
(3-phenylmethoxyphenyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102519033
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide
CID 54789941
1-[1-(7-benzyldibenzofuran-3-yl)ethyl]-1-hydroxyurea
CID 21245321
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
N-hydroxy-N-[1-(6-methoxynaphthalen-2-yl)ethyl]acetamide
CID 57042086
1-[1-[4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-3-fluorophenyl]ethyl]-1-hydroxyurea
CID 18956572
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
(6-phenylmethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol
CID 22018393
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide
CID 118204605

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea (CID 54481028) is 1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea is CC(c1ccc2cc(OCc3ccccc3)ccc2c1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea?
The InChIKey is XOZTYNCUPLBICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14(22(24)20(21)23)16-7-8-18-12-19(10-9-17(18)11-16)25-13-15-5-3-2-4-6-15/h2-12,14,24H,13H2,1H3,(H2,21,23).
What are the key properties of 1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea?
1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea has a molecular weight of 336.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-(6-phenylmethoxynaphthalen-2-yl)ethyl]urea is sourced from PubChem (CID 54481028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).