1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea

C16H28N2O2 — CID 98306003

IUPAC1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N(CCO)C1CC1)C2
InChIInChI=1S/C16H28N2O2/c1-15(2)11-6-7-16(15,3)13(10-11)17-14(20)18(8-9-19)12-4-5-12/h11-13,19H,4-10H2,1-3H3,(H,17,20)/t11-,13+,16-/m0/s1
InChIKeyVRVGZGHQLNGRNC-GHJWDPDVSA-N
MW280.41 g/mol
LogP2.37
Rot. Bonds4

About 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea

1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea (PubChem CID 98306003) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
PubChem CID98306003
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N(CCO)C1CC1)C2
InChIInChI=1S/C16H28N2O2/c1-15(2)11-6-7-16(15,3)13(10-11)17-14(20)18(8-9-19)12-4-5-12/h11-13,19H,4-10H2,1-3H3,(H,17,20)/t11-,13+,16-/m0/s1
InChIKeyVRVGZGHQLNGRNC-GHJWDPDVSA-N
XLogP2.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea?
The IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea (CID 98306003) is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea is CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N(CCO)C1CC1)C2.
What is the InChIKey of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea?
The InChIKey is VRVGZGHQLNGRNC-GHJWDPDVSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-15(2)11-6-7-16(15,3)13(10-11)17-14(20)18(8-9-19)12-4-5-12/h11-13,19H,4-10H2,1-3H3,(H,17,20)/t11-,13+,16-/m0/s1.
What are the key properties of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea?
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea has a molecular weight of 280.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea is sourced from PubChem (CID 98306003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).