(3S,5S)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide

C18H25N3O2 — CID 23646022

IUPAC(3S,5S)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1CN[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C18H25N3O2/c22-17(19-9-8-14-6-2-1-3-7-14)15-12-16(20-13-15)18(23)21-10-4-5-11-21/h1-3,6-7,15-16,20H,4-5,8-13H2,(H,19,22)/t15-,16-/m0/s1
InChIKeyAHACAAIJLXKRGT-HOTGVXAUSA-N
MW315.42 g/mol
LogP0.95
Rot. Bonds5

About (3S,5S)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide

(3S,5S)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 23646022) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (3S,5S)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide
PubChem CID23646022
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(3S,5S)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1CN[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C18H25N3O2/c22-17(19-9-8-14-6-2-1-3-7-14)15-12-16(20-13-15)18(23)21-10-4-5-11-21/h1-3,6-7,15-16,20H,4-5,8-13H2,(H,19,22)/t15-,16-/m0/s1
InChIKeyAHACAAIJLXKRGT-HOTGVXAUSA-N
XLogP0.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 73357
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(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
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Cypromin
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H-Val-pro-asn-leu-pro-gln-arg-phe-NH2
CID 71451611
Leucyl-phenylalanine amide
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N-(N-(Phenyl)butyryl-L-prolyl)pyrrolidine
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N-benzyl-5-oxopyrrolidine-2-carboxamide
CID 3519775
Substance P (1-7)
CID 115322
BN-201
CID 66610682
Rolicyprine
CID 60196287
(2S)-N-[(1S)-1-(4-aminocyclohexyl)-3-(methylamino)-2,3-dioxopropyl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 10322542

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,5S)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide (CID 23646022) is (3S,5S)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,5S)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,5S)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide is O=C(NCCc1ccccc1)[C@@H]1CN[C@H](C(=O)N2CCCC2)C1.
What is the InChIKey of (3S,5S)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is AHACAAIJLXKRGT-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(19-9-8-14-6-2-1-3-7-14)15-12-16(20-13-15)18(23)21-10-4-5-11-21/h1-3,6-7,15-16,20H,4-5,8-13H2,(H,19,22)/t15-,16-/m0/s1.
What are the key properties of (3S,5S)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide?
(3S,5S)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 23646022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).