2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid

C20H20N2O5 — CID 7471264

IUPAC2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
SMILESO=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C20H20N2O5/c23-18(21-12-13-6-5-11-27-13)16-9-3-4-10-17(16)22-19(24)14-7-1-2-8-15(14)20(25)26/h1-4,7-10,13H,5-6,11-12H2,(H,21,23)(H,22,24)(H,25,26)/t13-/m1/s1
InChIKeyUVMIWOBFCWOAMC-CYBMUJFWSA-N
MW368.39 g/mol
LogP2.55
Rot. Bonds6

About 2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid

2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid (PubChem CID 7471264) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
PubChem CID7471264
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
SMILESO=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C20H20N2O5/c23-18(21-12-13-6-5-11-27-13)16-9-3-4-10-17(16)22-19(24)14-7-1-2-8-15(14)20(25)26/h1-4,7-10,13H,5-6,11-12H2,(H,21,23)(H,22,24)(H,25,26)/t13-/m1/s1
InChIKeyUVMIWOBFCWOAMC-CYBMUJFWSA-N
XLogP2.55
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-[(2-methylsulfanylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2989154
2-[(2-nitrobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42426628
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 17467730
2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321274
N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide
CID 133262290
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46542044
2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41168092

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid (CID 7471264) is 2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid is O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid?
The InChIKey is UVMIWOBFCWOAMC-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-18(21-12-13-6-5-11-27-13)16-9-3-4-10-17(16)22-19(24)14-7-1-2-8-15(14)20(25)26/h1-4,7-10,13H,5-6,11-12H2,(H,21,23)(H,22,24)(H,25,26)/t13-/m1/s1.
What are the key properties of 2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid?
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid has a molecular weight of 368.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 7471264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).