methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate

C20H21NO5 — CID 25496492

IUPACmethyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)c1
InChIInChI=1S/C20H21NO5/c1-24-20(23)15-6-2-7-16(11-15)21-19(22)14-5-3-8-17(12-14)26-13-18-9-4-10-25-18/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3,(H,21,22)/t18-/m1/s1
InChIKeyNWNDHCDHFDNSOS-GOSISDBHSA-N
MW355.39 g/mol
LogP3.28
Rot. Bonds6

About methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate

methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate (PubChem CID 25496492) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
PubChem CID25496492
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namemethyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)c1
InChIInChI=1S/C20H21NO5/c1-24-20(23)15-6-2-7-16(11-15)21-19(22)14-5-3-8-17(12-14)26-13-18-9-4-10-25-18/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3,(H,21,22)/t18-/m1/s1
InChIKeyNWNDHCDHFDNSOS-GOSISDBHSA-N
XLogP3.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate with MolForge

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Related Compounds

3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate
CID 41442893
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 24633199
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
2-methyl-2-[4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]propanoic acid
CID 119254234
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560650
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate?
The IUPAC name of methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate (CID 25496492) is methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)c1.
What is the InChIKey of methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate?
The InChIKey is NWNDHCDHFDNSOS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21NO5/c1-24-20(23)15-6-2-7-16(11-15)21-19(22)14-5-3-8-17(12-14)26-13-18-9-4-10-25-18/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3,(H,21,22)/t18-/m1/s1.
What are the key properties of methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate?
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate has a molecular weight of 355.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate is sourced from PubChem (CID 25496492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).