(2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide

C22H24N2O4 — CID 110198586

IUPAC(2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)COc1ccccc1
InChIInChI=1S/C22H24N2O4/c25-21(15-27-17-7-3-1-4-8-17)24-14-19(28-18-9-5-2-6-10-18)13-20(24)22(26)23-16-11-12-16/h1-10,16,19-20H,11-15H2,(H,23,26)/t19-,20-/m0/s1
InChIKeyQKLXJABSAMMCSO-PMACEKPBSA-N
MW380.44 g/mol
LogP2.39
Rot. Bonds7

About (2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide

(2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide (PubChem CID 110198586) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide
PubChem CID110198586
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)COc1ccccc1
InChIInChI=1S/C22H24N2O4/c25-21(15-27-17-7-3-1-4-8-17)24-14-19(28-18-9-5-2-6-10-18)13-20(24)22(26)23-16-11-12-16/h1-10,16,19-20H,11-15H2,(H,23,26)/t19-,20-/m0/s1
InChIKeyQKLXJABSAMMCSO-PMACEKPBSA-N
XLogP2.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-cyclopropyl-1-[2-(4-fluorophenoxy)acetyl]-4-phenoxypyrrolidine-2-carboxamide
CID 110198565
(2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199017
(2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198582
(2S,4S)-N-cyclopropyl-1-(2-phenylacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199033
(2S,4S)-N-cyclopropyl-1-(isoquinoline-1-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198564
(2S,4S)-N-cyclopropyl-4-phenoxy-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110198593
1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]-2-phenoxyethanone
CID 110196877
(2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198236
2-(4-fluorophenoxy)-1-[(2S,4S)-4-phenoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 110198473
(2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propanoylpyrrolidine-2-carboxamide
CID 110196958
(2S,4S)-1-(2-cyclohexylacetyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198380
4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid
CID 43184306

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide (CID 110198586) is (2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide is O=C(NC1CC1)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)COc1ccccc1.
What is the InChIKey of (2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide?
The InChIKey is QKLXJABSAMMCSO-PMACEKPBSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-21(15-27-17-7-3-1-4-8-17)24-14-19(28-18-9-5-2-6-10-18)13-20(24)22(26)23-16-11-12-16/h1-10,16,19-20H,11-15H2,(H,23,26)/t19-,20-/m0/s1.
What are the key properties of (2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide?
(2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110198586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).