1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea

C21H29N3O2 — CID 126435297

IUPAC1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea
SMILESCC(C)(CNC(=O)NC[C@H](O)c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C21H29N3O2/c1-21(2,24-11-5-6-12-24)15-23-20(26)22-14-19(25)18-10-9-16-7-3-4-8-17(16)13-18/h3-4,7-10,13,19,25H,5-6,11-12,14-15H2,1-2H3,(H2,22,23,26)/t19-/m0/s1
InChIKeyNYUWRBRWJYIUQN-IBGZPJMESA-N
MW355.48 g/mol
LogP3.05
Rot. Bonds6

About 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea

1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea (PubChem CID 126435297) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea
PubChem CID126435297
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea
SMILESCC(C)(CNC(=O)NC[C@H](O)c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C21H29N3O2/c1-21(2,24-11-5-6-12-24)15-23-20(26)22-14-19(25)18-10-9-16-7-3-4-8-17(16)13-18/h3-4,7-10,13,19,25H,5-6,11-12,14-15H2,1-2H3,(H2,22,23,26)/t19-/m0/s1
InChIKeyNYUWRBRWJYIUQN-IBGZPJMESA-N
XLogP3.05
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
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CID 167933899
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea
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1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
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CID 61167220
1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119281081
(2S)-1-acetyl-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide
CID 97227605
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
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1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111222
2-(dimethylamino)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methylbutanamide
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1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111298
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea (CID 126435297) is 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea is CC(C)(CNC(=O)NC[C@H](O)c1ccc2ccccc2c1)N1CCCC1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea?
The InChIKey is NYUWRBRWJYIUQN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N3O2/c1-21(2,24-11-5-6-12-24)15-23-20(26)22-14-19(25)18-10-9-16-7-3-4-8-17(16)13-18/h3-4,7-10,13,19,25H,5-6,11-12,14-15H2,1-2H3,(H2,22,23,26)/t19-/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea?
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea has a molecular weight of 355.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea is sourced from PubChem (CID 126435297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).