1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea

C17H26N2O3 — CID 164641306

IUPAC1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea
SMILESCC(C)CC1(NC(=O)N[C@@H](C)[C@H](O)c2ccc(O)cc2)CC1
InChIInChI=1S/C17H26N2O3/c1-11(2)10-17(8-9-17)19-16(22)18-12(3)15(21)13-4-6-14(20)7-5-13/h4-7,11-12,15,20-21H,8-10H2,1-3H3,(H2,18,19,22)/t12-,15-/m0/s1
InChIKeyHYLQBBQTSUWRLY-WFASDCNBSA-N
MW306.41 g/mol
LogP2.69
Rot. Bonds6

About 1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea

1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea (PubChem CID 164641306) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea
PubChem CID164641306
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea
SMILESCC(C)CC1(NC(=O)N[C@@H](C)[C@H](O)c2ccc(O)cc2)CC1
InChIInChI=1S/C17H26N2O3/c1-11(2)10-17(8-9-17)19-16(22)18-12(3)15(21)13-4-6-14(20)7-5-13/h4-7,11-12,15,20-21H,8-10H2,1-3H3,(H2,18,19,22)/t12-,15-/m0/s1
InChIKeyHYLQBBQTSUWRLY-WFASDCNBSA-N
XLogP2.69
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea?
The IUPAC name of 1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea (CID 164641306) is 1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea.
What is the SMILES notation for 1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea?
The canonical SMILES for 1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea is CC(C)CC1(NC(=O)N[C@@H](C)[C@H](O)c2ccc(O)cc2)CC1.
What is the InChIKey of 1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea?
The InChIKey is HYLQBBQTSUWRLY-WFASDCNBSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11(2)10-17(8-9-17)19-16(22)18-12(3)15(21)13-4-6-14(20)7-5-13/h4-7,11-12,15,20-21H,8-10H2,1-3H3,(H2,18,19,22)/t12-,15-/m0/s1.
What are the key properties of 1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea?
1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea has a molecular weight of 306.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-3-[1-(2-methylpropyl)cyclopropyl]urea is sourced from PubChem (CID 164641306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).