methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate

C17H22N2O5 — CID 7248308

IUPACmethyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
SMILESCOC(=O)CCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C17H22N2O5/c1-23-16(21)9-8-15(20)19-14-7-3-2-6-13(14)17(22)18-11-12-5-4-10-24-12/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,22)(H,19,20)/t12-/m1/s1
InChIKeyKZFVIIUXGIVARE-GFCCVEGCSA-N
MW334.37 g/mol
LogP1.49
Rot. Bonds7

About methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate

methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate (PubChem CID 7248308) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
PubChem CID7248308
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Namemethyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
SMILESCOC(=O)CCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C17H22N2O5/c1-23-16(21)9-8-15(20)19-14-7-3-2-6-13(14)17(22)18-11-12-5-4-10-24-12/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,22)(H,19,20)/t12-/m1/s1
InChIKeyKZFVIIUXGIVARE-GFCCVEGCSA-N
XLogP1.49
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate with MolForge

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Related Compounds

2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17321079
N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
CID 41145376
methyl 4-oxo-4-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 42580218
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013881
methyl 4-oxo-4-[3-(oxolan-2-ylmethylcarbamoyl)anilino]butanoate
CID 17202291
2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41168092
N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
CID 17361745
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43059773
2-[[2-(2,4-dimethylphenyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 133200000
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate?
The IUPAC name of methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate (CID 7248308) is methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate.
What is the SMILES notation for methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate?
The canonical SMILES for methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate is COC(=O)CCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1.
What is the InChIKey of methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate?
The InChIKey is KZFVIIUXGIVARE-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-23-16(21)9-8-15(20)19-14-7-3-2-6-13(14)17(22)18-11-12-5-4-10-24-12/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,22)(H,19,20)/t12-/m1/s1.
What are the key properties of methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate?
methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate has a molecular weight of 334.37 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate is sourced from PubChem (CID 7248308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).