1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea

C18H28N2O2 — CID 111422968

IUPAC1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea
SMILESCC(C)(C)C(Cc1ccccc1)NC(=O)N(CCO)C1CC1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)16(13-14-7-5-4-6-8-14)19-17(22)20(11-12-21)15-9-10-15/h4-8,15-16,21H,9-13H2,1-3H3,(H,19,22)
InChIKeyGVQUPDYTJHTZFT-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.81
Rot. Bonds6

About 1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea

1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea (PubChem CID 111422968) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea
PubChem CID111422968
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea
SMILESCC(C)(C)C(Cc1ccccc1)NC(=O)N(CCO)C1CC1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)16(13-14-7-5-4-6-8-14)19-17(22)20(11-12-21)15-9-10-15/h4-8,15-16,21H,9-13H2,1-3H3,(H,19,22)
InChIKeyGVQUPDYTJHTZFT-UHFFFAOYSA-N
XLogP2.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea (CID 111422968) is 1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea is CC(C)(C)C(Cc1ccccc1)NC(=O)N(CCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea?
The InChIKey is GVQUPDYTJHTZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)16(13-14-7-5-4-6-8-14)19-17(22)20(11-12-21)15-9-10-15/h4-8,15-16,21H,9-13H2,1-3H3,(H,19,22).
What are the key properties of 1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea has a molecular weight of 304.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111422968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).