1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea

C19H27N3O3 — CID 124880562

IUPAC1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1N1CCOCC1)N[C@H]1CCO[C@H]1C1CC1
InChIInChI=1S/C19H27N3O3/c23-19(21-16-7-10-25-18(16)14-5-6-14)20-13-15-3-1-2-4-17(15)22-8-11-24-12-9-22/h1-4,14,16,18H,5-13H2,(H2,20,21,23)/t16-,18-/m0/s1
InChIKeyMLCCJWOYNYOKLA-WMZOPIPTSA-N
MW345.44 g/mol
LogP1.89
Rot. Bonds5

About 1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea

1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea (PubChem CID 124880562) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea
PubChem CID124880562
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1N1CCOCC1)N[C@H]1CCO[C@H]1C1CC1
InChIInChI=1S/C19H27N3O3/c23-19(21-16-7-10-25-18(16)14-5-6-14)20-13-15-3-1-2-4-17(15)22-8-11-24-12-9-22/h1-4,14,16,18H,5-13H2,(H2,20,21,23)/t16-,18-/m0/s1
InChIKeyMLCCJWOYNYOKLA-WMZOPIPTSA-N
XLogP1.89
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110445215
N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119853783
3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962818
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 119853759
N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide
CID 119853743
3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
CID 51096915
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119853786
(2S,5R)-5-(aminomethyl)-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 120798390
1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea
CID 47829113
2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide
CID 100613829

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea?
The IUPAC name of 1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea (CID 124880562) is 1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea.
What is the SMILES notation for 1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea?
The canonical SMILES for 1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea is O=C(NCc1ccccc1N1CCOCC1)N[C@H]1CCO[C@H]1C1CC1.
What is the InChIKey of 1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea?
The InChIKey is MLCCJWOYNYOKLA-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-19(21-16-7-10-25-18(16)14-5-6-14)20-13-15-3-1-2-4-17(15)22-8-11-24-12-9-22/h1-4,14,16,18H,5-13H2,(H2,20,21,23)/t16-,18-/m0/s1.
What are the key properties of 1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea?
1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea has a molecular weight of 345.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea is sourced from PubChem (CID 124880562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).