1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea

C18H24N2O2 — CID 110922200

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea
SMILESCCN(CCO)C(=O)NC(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O2/c1-3-20(10-11-21)18(22)19-14(2)12-15-8-9-16-6-4-5-7-17(16)13-15/h4-9,13-14,21H,3,10-12H2,1-2H3,(H,19,22)
InChIKeyIVHJLJMNLDPATD-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.79
Rot. Bonds6

About 1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea

1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea (PubChem CID 110922200) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea
PubChem CID110922200
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea
SMILESCCN(CCO)C(=O)NC(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O2/c1-3-20(10-11-21)18(22)19-14(2)12-15-8-9-16-6-4-5-7-17(16)13-15/h4-9,13-14,21H,3,10-12H2,1-2H3,(H,19,22)
InChIKeyIVHJLJMNLDPATD-UHFFFAOYSA-N
XLogP2.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide
CID 95382799
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea
CID 111505667
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 61208407
2-acetamido-2-methyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]propanamide
CID 97318164
3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111426948
tert-butyl N-[(2R)-1-(diethylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
CID 11624892
N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 95160043
N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine
CID 82262424
1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea
CID 111439042
N-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide
CID 66634823
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65289849

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea (CID 110922200) is 1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea is CCN(CCO)C(=O)NC(C)Cc1ccc2ccccc2c1.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea?
The InChIKey is IVHJLJMNLDPATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-20(10-11-21)18(22)19-14(2)12-15-8-9-16-6-4-5-7-17(16)13-15/h4-9,13-14,21H,3,10-12H2,1-2H3,(H,19,22).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea?
1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea has a molecular weight of 300.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea is sourced from PubChem (CID 110922200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).