1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea

C16H24N2O2 — CID 109499744

IUPAC1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
SMILESCC(NC(=O)N[C@H](CCO)c1ccccc1)C1CCC1
InChIInChI=1S/C16H24N2O2/c1-12(13-8-5-9-13)17-16(20)18-15(10-11-19)14-6-3-2-4-7-14/h2-4,6-7,12-13,15,19H,5,8-11H2,1H3,(H2,17,18,20)/t12?,15-/m1/s1
InChIKeyIUYUAYZMEHGVQJ-WPZCJLIBSA-N
MW276.38 g/mol
LogP2.60
Rot. Bonds6

About 1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea

1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea (PubChem CID 109499744) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea.

Molecular Properties

Compound Name1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
PubChem CID109499744
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
SMILESCC(NC(=O)N[C@H](CCO)c1ccccc1)C1CCC1
InChIInChI=1S/C16H24N2O2/c1-12(13-8-5-9-13)17-16(20)18-15(10-11-19)14-6-3-2-4-7-14/h2-4,6-7,12-13,15,19H,5,8-11H2,1H3,(H2,17,18,20)/t12?,15-/m1/s1
InChIKeyIUYUAYZMEHGVQJ-WPZCJLIBSA-N
XLogP2.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-cyclopropylethylcarbamoylamino)-4-phenylbutanoic acid
CID 61197747
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea
CID 75517864
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111506905
N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide
CID 149225632
2-(1-cyclopentylethylamino)-2-phenylethanol
CID 63182560
1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
[(1S)-3-hydroxy-1-phenylpropyl]carbamothioic S-acid
CID 142183585
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 111454052
2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid
CID 61230073

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The IUPAC name of 1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea (CID 109499744) is 1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea.
What is the SMILES notation for 1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The canonical SMILES for 1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea is CC(NC(=O)N[C@H](CCO)c1ccccc1)C1CCC1.
What is the InChIKey of 1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The InChIKey is IUYUAYZMEHGVQJ-WPZCJLIBSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(13-8-5-9-13)17-16(20)18-15(10-11-19)14-6-3-2-4-7-14/h2-4,6-7,12-13,15,19H,5,8-11H2,1H3,(H2,17,18,20)/t12?,15-/m1/s1.
What are the key properties of 1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea has a molecular weight of 276.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea is sourced from PubChem (CID 109499744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).