(2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide

C24H26N2O5 — CID 33080992

IUPAC(2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1)[C@H]1CCCO1
InChIInChI=1S/C24H26N2O5/c27-23(21-7-3-11-29-21)25-18-5-1-4-17(14-18)24(28)26-10-2-6-19(26)16-8-9-20-22(15-16)31-13-12-30-20/h1,4-5,8-9,14-15,19,21H,2-3,6-7,10-13H2,(H,25,27)/t19-,21+/m0/s1
InChIKeyNXCKYMVQPKQHMN-PZJWPPBQSA-N
MW422.48 g/mol
LogP3.55
Rot. Bonds4

About (2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide (PubChem CID 33080992) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is (2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
PubChem CID33080992
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name(2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1)[C@H]1CCCO1
InChIInChI=1S/C24H26N2O5/c27-23(21-7-3-11-29-21)25-18-5-1-4-17(14-18)24(28)26-10-2-6-19(26)16-8-9-20-22(15-16)31-13-12-30-20/h1,4-5,8-9,14-15,19,21H,2-3,6-7,10-13H2,(H,25,27)/t19-,21+/m0/s1
InChIKeyNXCKYMVQPKQHMN-PZJWPPBQSA-N
XLogP3.55
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 41102806
(2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 99808923
(3-chlorophenyl)-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 25491161
(2R)-N-[3-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 94637367
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 757856
(2S)-N-[3-[(2S)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 51938598
(2S)-N-[3-[(2R)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 51938596
(2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 34230461
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119651940
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 55315724
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(3,5-dichlorophenyl)-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 25491178

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide (CID 33080992) is (2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The InChIKey is NXCKYMVQPKQHMN-PZJWPPBQSA-N. The full InChI is InChI=1S/C24H26N2O5/c27-23(21-7-3-11-29-21)25-18-5-1-4-17(14-18)24(28)26-10-2-6-19(26)16-8-9-20-22(15-16)31-13-12-30-20/h1,4-5,8-9,14-15,19,21H,2-3,6-7,10-13H2,(H,25,27)/t19-,21+/m0/s1.
What are the key properties of (2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 33080992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).