2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide

C16H20ClN3O3 — CID 124615405

IUPAC2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O3/c1-2-8-18-14(21)10-19-16(22)20-13-7-9-23-15(13)11-3-5-12(17)6-4-11/h2-6,13,15H,1,7-10H2,(H,18,21)(H2,19,20,22)/t13-,15-/m1/s1
InChIKeyPPSLVJAIPORVBV-UKRRQHHQSA-N
MW337.81 g/mol
LogP1.77
Rot. Bonds6

About 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide

2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide (PubChem CID 124615405) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide
PubChem CID124615405
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O3/c1-2-8-18-14(21)10-19-16(22)20-13-7-9-23-15(13)11-3-5-12(17)6-4-11/h2-6,13,15H,1,7-10H2,(H,18,21)(H2,19,20,22)/t13-,15-/m1/s1
InChIKeyPPSLVJAIPORVBV-UKRRQHHQSA-N
XLogP1.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 99835116
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea
CID 98875908
1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97128571
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 97128270
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 75399797
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 84595697
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea
CID 75399805
N-[2-(4-chlorophenyl)oxolan-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016794
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea
CID 99717936
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea
CID 97057644
2-[[(2S,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]amino]-N-(prop-2-enylcarbamoyl)propanamide
CID 139022122
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 97122784

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide (CID 124615405) is 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide?
The InChIKey is PPSLVJAIPORVBV-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-2-8-18-14(21)10-19-16(22)20-13-7-9-23-15(13)11-3-5-12(17)6-4-11/h2-6,13,15H,1,7-10H2,(H,18,21)(H2,19,20,22)/t13-,15-/m1/s1.
What are the key properties of 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide?
2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide has a molecular weight of 337.81 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 124615405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).