3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea

C21H26N2O2 — CID 91662159

IUPAC3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
SMILESCN(CC1CC(O)C1)C(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-23(15-17-12-19(24)13-17)21(25)22-20(18-10-6-3-7-11-18)14-16-8-4-2-5-9-16/h2-11,17,19-20,24H,12-15H2,1H3,(H,22,25)
InChIKeyKYAXKARBUCIJJX-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.38
Rot. Bonds6

About 3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea

3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea (PubChem CID 91662159) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
PubChem CID91662159
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
SMILESCN(CC1CC(O)C1)C(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-23(15-17-12-19(24)13-17)21(25)22-20(18-10-6-3-7-11-18)14-16-8-4-2-5-9-16/h2-11,17,19-20,24H,12-15H2,1H3,(H,22,25)
InChIKeyKYAXKARBUCIJJX-UHFFFAOYSA-N
XLogP3.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S)-1,2-diphenylethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
CID 99857981
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide
CID 114928737
1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea
CID 87000160
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122028421
1,2-diphenylethylurea
CID 2853470
2-[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289357
1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea
CID 110012205
1-[(1S)-1,2-diphenylethyl]-3-prop-2-ynylurea
CID 36512732
2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
CID 95786005

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea?
The IUPAC name of 3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea (CID 91662159) is 3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea.
What is the SMILES notation for 3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea?
The canonical SMILES for 3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea is CN(CC1CC(O)C1)C(=O)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea?
The InChIKey is KYAXKARBUCIJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-23(15-17-12-19(24)13-17)21(25)22-20(18-10-6-3-7-11-18)14-16-8-4-2-5-9-16/h2-11,17,19-20,24H,12-15H2,1H3,(H,22,25).
What are the key properties of 3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea?
3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea has a molecular weight of 338.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-diphenylethyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea is sourced from PubChem (CID 91662159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).