1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea

C20H30N2O3 — CID 124845954

IUPAC1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
SMILESCC(C)(COCc1ccccc1)NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1
InChIInChI=1S/C20H30N2O3/c1-20(2,14-24-13-15-6-4-3-5-7-15)22-19(23)21-17-10-11-25-18(12-17)16-8-9-16/h3-7,16-18H,8-14H2,1-2H3,(H2,21,22,23)/t17-,18-/m1/s1
InChIKeyHXWLMZMVVYKWHJ-QZTJIDSGSA-N
MW346.47 g/mol
LogP3.24
Rot. Bonds7

About 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea

1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea (PubChem CID 124845954) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
PubChem CID124845954
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
SMILESCC(C)(COCc1ccccc1)NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1
InChIInChI=1S/C20H30N2O3/c1-20(2,14-24-13-15-6-4-3-5-7-15)22-19(23)21-17-10-11-25-18(12-17)16-8-9-16/h3-7,16-18H,8-14H2,1-2H3,(H2,21,22,23)/t17-,18-/m1/s1
InChIKeyHXWLMZMVVYKWHJ-QZTJIDSGSA-N
XLogP3.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
CID 124844383
1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
CID 124852141
N-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide
CID 129433198
1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124852777
1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 124844930
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea
CID 99843111
N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide
CID 124571830
1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea
CID 129445949
2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide
CID 100706995
tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane
CID 143391209
N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine
CID 133473473
1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea
CID 91660622

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea?
The IUPAC name of 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea (CID 124845954) is 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea.
What is the SMILES notation for 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea?
The canonical SMILES for 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea is CC(C)(COCc1ccccc1)NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1.
What is the InChIKey of 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea?
The InChIKey is HXWLMZMVVYKWHJ-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-20(2,14-24-13-15-6-4-3-5-7-15)22-19(23)21-17-10-11-25-18(12-17)16-8-9-16/h3-7,16-18H,8-14H2,1-2H3,(H2,21,22,23)/t17-,18-/m1/s1.
What are the key properties of 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea?
1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea has a molecular weight of 346.47 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea is sourced from PubChem (CID 124845954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).