1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea

C17H24N2O3 — CID 124734117

IUPAC1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea
SMILESCOc1ccccc1[C@@H]1C[C@H]1NC(=O)NCC[C@H]1CCCO1
InChIInChI=1S/C17H24N2O3/c1-21-16-7-3-2-6-13(16)14-11-15(14)19-17(20)18-9-8-12-5-4-10-22-12/h2-3,6-7,12,14-15H,4-5,8-11H2,1H3,(H2,18,19,20)/t12-,14+,15-/m1/s1
InChIKeyLWKZUQKBRLTPCJ-VHDGCEQUSA-N
MW304.39 g/mol
LogP2.42
Rot. Bonds6

About 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea

1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea (PubChem CID 124734117) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea
PubChem CID124734117
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea
SMILESCOc1ccccc1[C@@H]1C[C@H]1NC(=O)NCC[C@H]1CCCO1
InChIInChI=1S/C17H24N2O3/c1-21-16-7-3-2-6-13(16)14-11-15(14)19-17(20)18-9-8-12-5-4-10-22-12/h2-3,6-7,12,14-15H,4-5,8-11H2,1H3,(H2,18,19,20)/t12-,14+,15-/m1/s1
InChIKeyLWKZUQKBRLTPCJ-VHDGCEQUSA-N
XLogP2.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea with MolForge

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Related Compounds

1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 27734061
2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815766
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111215622
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
(E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 895784
1-cyclopropyl-3-[2-(oxan-2-yl)ethyl]urea
CID 103975410
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115634821
[(2R)-oxolan-2-yl]methyl (4S)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7080923
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 51076414
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[(2S)-oxolan-2-yl]ethyl]urea
CID 32532589

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea (CID 124734117) is 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea is COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCC[C@H]1CCCO1.
What is the InChIKey of 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea?
The InChIKey is LWKZUQKBRLTPCJ-VHDGCEQUSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-16-7-3-2-6-13(16)14-11-15(14)19-17(20)18-9-8-12-5-4-10-22-12/h2-3,6-7,12,14-15H,4-5,8-11H2,1H3,(H2,18,19,20)/t12-,14+,15-/m1/s1.
What are the key properties of 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea?
1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea has a molecular weight of 304.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 124734117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).