(2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide

C23H26N2O4 — CID 95785400

IUPAC(2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(CN(C(=O)[C@H]2CCCO2)c2ccccc2)cc1)[C@H]1CCCO1
InChIInChI=1S/C23H26N2O4/c26-22(20-8-4-14-28-20)24-18-12-10-17(11-13-18)16-25(19-6-2-1-3-7-19)23(27)21-9-5-15-29-21/h1-3,6-7,10-13,20-21H,4-5,8-9,14-16H2,(H,24,26)/t20-,21-/m1/s1
InChIKeySTIQUBIHPMACSE-NHCUHLMSSA-N
MW394.47 g/mol
LogP3.52
Rot. Bonds6

About (2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide

(2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide (PubChem CID 95785400) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is (2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide
PubChem CID95785400
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name(2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(CN(C(=O)[C@H]2CCCO2)c2ccccc2)cc1)[C@H]1CCCO1
InChIInChI=1S/C23H26N2O4/c26-22(20-8-4-14-28-20)24-18-12-10-17(11-13-18)16-25(19-6-2-1-3-7-19)23(27)21-9-5-15-29-21/h1-3,6-7,10-13,20-21H,4-5,8-9,14-16H2,(H,24,26)/t20-,21-/m1/s1
InChIKeySTIQUBIHPMACSE-NHCUHLMSSA-N
XLogP3.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide
CID 112982284
N-phenyloxolane-2-carboxamide
CID 3453643
3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid
CID 93332713
N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000338
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
(2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide
CID 51945893
4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid
CID 104855556
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
N-[3-[ethyl(phenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46548651
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide (CID 95785400) is (2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(CN(C(=O)[C@H]2CCCO2)c2ccccc2)cc1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide?
The InChIKey is STIQUBIHPMACSE-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-22(20-8-4-14-28-20)24-18-12-10-17(11-13-18)16-25(19-6-2-1-3-7-19)23(27)21-9-5-15-29-21/h1-3,6-7,10-13,20-21H,4-5,8-9,14-16H2,(H,24,26)/t20-,21-/m1/s1.
What are the key properties of (2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 95785400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).