1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea

C23H28N2O2 — CID 87000160

IUPAC1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea
SMILESO=C(NC(Cc1ccccc1)c1ccccc1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C23H28N2O2/c26-23(25(21-11-12-21)16-19-13-14-27-17-19)24-22(20-9-5-2-6-10-20)15-18-7-3-1-4-8-18/h1-10,19,21-22H,11-17H2,(H,24,26)
InChIKeyWIJOYABYJICEPF-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.18
Rot. Bonds7

About 1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea

1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea (PubChem CID 87000160) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea
PubChem CID87000160
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea
SMILESO=C(NC(Cc1ccccc1)c1ccccc1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C23H28N2O2/c26-23(25(21-11-12-21)16-19-13-14-27-17-19)24-22(20-9-5-2-6-10-20)15-18-7-3-1-4-8-18/h1-10,19,21-22H,11-17H2,(H,24,26)
InChIKeyWIJOYABYJICEPF-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 86999635
3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 86999680
2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 87017037
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
CID 94182434
3-[(1-benzylpyrazol-4-yl)methyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 87007523
N-[cyclopentyl(phenyl)methyl]-2-[cyclopropyl(oxolan-3-ylmethyl)amino]acetamide
CID 78897244
3-[(1S)-1,2-diphenylethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
CID 99857981
3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
CID 91662159
3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 95595264
1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
CID 86999387
3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 87003466
1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97028885

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea (CID 87000160) is 1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea is O=C(NC(Cc1ccccc1)c1ccccc1)N(CC1CCOC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea?
The InChIKey is WIJOYABYJICEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-23(25(21-11-12-21)16-19-13-14-27-17-19)24-22(20-9-5-2-6-10-20)15-18-7-3-1-4-8-18/h1-10,19,21-22H,11-17H2,(H,24,26).
What are the key properties of 1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea?
1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea has a molecular weight of 364.49 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 87000160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).