(2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide

C22H30N2O3 — CID 110198582

IUPAC(2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)CC1CCCCC1
InChIInChI=1S/C22H30N2O3/c25-21(13-16-7-3-1-4-8-16)24-15-19(27-18-9-5-2-6-10-18)14-20(24)22(26)23-17-11-12-17/h2,5-6,9-10,16-17,19-20H,1,3-4,7-8,11-15H2,(H,23,26)/t19-,20-/m0/s1
InChIKeyUNTZXPGCOSFAQX-PMACEKPBSA-N
MW370.49 g/mol
LogP3.28
Rot. Bonds6

About (2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide

(2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide (PubChem CID 110198582) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is (2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide
PubChem CID110198582
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name(2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)CC1CCCCC1
InChIInChI=1S/C22H30N2O3/c25-21(13-16-7-3-1-4-8-16)24-15-19(27-18-9-5-2-6-10-18)14-20(24)22(26)23-17-11-12-17/h2,5-6,9-10,16-17,19-20H,1,3-4,7-8,11-15H2,(H,23,26)/t19-,20-/m0/s1
InChIKeyUNTZXPGCOSFAQX-PMACEKPBSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide
CID 110198586
(2S,4S)-1-(2-cyclohexylacetyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198380
(2S,4S)-N-cyclopropyl-1-[2-(4-fluorophenoxy)acetyl]-4-phenoxypyrrolidine-2-carboxamide
CID 110198565
(2S,4S)-N-cyclopropyl-4-phenoxy-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110198593
(2S,4S)-N-cyclopropyl-1-(2-phenylacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199033
(2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199017
(2S,4S)-N-cyclopropyl-1-(isoquinoline-1-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198564
(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198242
(2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198236
(2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propanoylpyrrolidine-2-carboxamide
CID 110196958
(2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198976
(2S,4S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198624

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide (CID 110198582) is (2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide is O=C(NC1CC1)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)CC1CCCCC1.
What is the InChIKey of (2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide?
The InChIKey is UNTZXPGCOSFAQX-PMACEKPBSA-N. The full InChI is InChI=1S/C22H30N2O3/c25-21(13-16-7-3-1-4-8-16)24-15-19(27-18-9-5-2-6-10-18)14-20(24)22(26)23-17-11-12-17/h2,5-6,9-10,16-17,19-20H,1,3-4,7-8,11-15H2,(H,23,26)/t19-,20-/m0/s1.
What are the key properties of (2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide?
(2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).