1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea

C21H22N2O2 — CID 121112095

IUPAC1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea
SMILESCC(O)(CNC(=O)NCc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-21(25,18-11-3-2-4-12-18)15-23-20(24)22-14-17-10-7-9-16-8-5-6-13-19(16)17/h2-13,25H,14-15H2,1H3,(H2,22,23,24)
InChIKeyZXGQYSIOEFNQQC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.55
Rot. Bonds5

About 1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea

1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea (PubChem CID 121112095) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea
PubChem CID121112095
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea
SMILESCC(O)(CNC(=O)NCc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-21(25,18-11-3-2-4-12-18)15-23-20(24)22-14-17-10-7-9-16-8-5-6-13-19(16)17/h2-13,25H,14-15H2,1H3,(H2,22,23,24)
InChIKeyZXGQYSIOEFNQQC-UHFFFAOYSA-N
XLogP3.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 111450577
1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 96548923
1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 121112092
1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea
CID 71782105
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334531
N-(2-hydroxy-2-methylpropyl)-2-naphthalen-1-ylacetamide
CID 65110602
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335717
2-(tert-butylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 47185263
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 3856277
1-benzyl-3-(2-methyl-2-phenylpropyl)urea
CID 38887064

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea (CID 121112095) is 1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea is CC(O)(CNC(=O)NCc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is ZXGQYSIOEFNQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-21(25,18-11-3-2-4-12-18)15-23-20(24)22-14-17-10-7-9-16-8-5-6-13-19(16)17/h2-13,25H,14-15H2,1H3,(H2,22,23,24).
What are the key properties of 1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea?
1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 334.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 121112095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).