(2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide

C18H33N3O3 — CID 24720601

IUPAC(2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide
SMILESCCCCC(CC)C(=O)N1CCC[C@@H]1C(=O)NCCCNC(C)=O
InChIInChI=1S/C18H33N3O3/c1-4-6-9-15(5-2)18(24)21-13-7-10-16(21)17(23)20-12-8-11-19-14(3)22/h15-16H,4-13H2,1-3H3,(H,19,22)(H,20,23)/t15?,16-/m1/s1
InChIKeyFAOYUBBVZRTLMZ-OEMAIJDKSA-N
MW339.48 g/mol
LogP1.84
Rot. Bonds10

About (2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide

(2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide (PubChem CID 24720601) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide
PubChem CID24720601
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name(2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide
SMILESCCCCC(CC)C(=O)N1CCC[C@@H]1C(=O)NCCCNC(C)=O
InChIInChI=1S/C18H33N3O3/c1-4-6-9-15(5-2)18(24)21-13-7-10-16(21)17(23)20-12-8-11-19-14(3)22/h15-16H,4-13H2,1-3H3,(H,19,22)(H,20,23)/t15?,16-/m1/s1
InChIKeyFAOYUBBVZRTLMZ-OEMAIJDKSA-N
XLogP1.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide
CID 11151918
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 11176463
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(2-ethylbutyl)pyrrolidine-2-carboxamide
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L-leucyl-L-prolinamide
CID 11557656

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide (CID 24720601) is (2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide is CCCCC(CC)C(=O)N1CCC[C@@H]1C(=O)NCCCNC(C)=O.
What is the InChIKey of (2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide?
The InChIKey is FAOYUBBVZRTLMZ-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-4-6-9-15(5-2)18(24)21-13-7-10-16(21)17(23)20-12-8-11-19-14(3)22/h15-16H,4-13H2,1-3H3,(H,19,22)(H,20,23)/t15?,16-/m1/s1.
What are the key properties of (2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide?
(2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 24720601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).