methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate

C20H21NO5 — CID 41442893

IUPACmethyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1
InChIInChI=1S/C20H21NO5/c1-24-20(23)15-5-2-4-14(12-15)19(22)21-16-7-9-17(10-8-16)26-13-18-6-3-11-25-18/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyCOQDMQGWCAICMW-SFHVURJKSA-N
MW355.39 g/mol
LogP3.28
Rot. Bonds6

About methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate

methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate (PubChem CID 41442893) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate
PubChem CID41442893
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namemethyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1
InChIInChI=1S/C20H21NO5/c1-24-20(23)15-5-2-4-14(12-15)19(22)21-16-7-9-17(10-8-16)26-13-18-6-3-11-25-18/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyCOQDMQGWCAICMW-SFHVURJKSA-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-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate with MolForge

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Related Compounds

3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
CID 129465786
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
3-fluoro-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 42427188
3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356
3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17149811
propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 24633199
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
3-methyl-N-[4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821431
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
methyl 4-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178607

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate (CID 41442893) is methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate is COC(=O)c1cccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1.
What is the InChIKey of methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate?
The InChIKey is COQDMQGWCAICMW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21NO5/c1-24-20(23)15-5-2-4-14(12-15)19(22)21-16-7-9-17(10-8-16)26-13-18-6-3-11-25-18/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,22)/t18-/m0/s1.
What are the key properties of methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate?
methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]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-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate is sourced from PubChem (CID 41442893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).