1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide

C18H26N2O3 — CID 174658326

IUPAC1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide
SMILESCCC(O)(CC)C(C(=O)N1CCCC1C(N)=O)c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-3-18(23,4-2)15(13-9-6-5-7-10-13)17(22)20-12-8-11-14(20)16(19)21/h5-7,9-10,14-15,23H,3-4,8,11-12H2,1-2H3,(H2,19,21)
InChIKeyFPOSILKFRXOBLN-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.80
Rot. Bonds6

About 1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide

1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide (PubChem CID 174658326) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide
PubChem CID174658326
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide
SMILESCCC(O)(CC)C(C(=O)N1CCCC1C(N)=O)c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-3-18(23,4-2)15(13-9-6-5-7-10-13)17(22)20-12-8-11-14(20)16(19)21/h5-7,9-10,14-15,23H,3-4,8,11-12H2,1-2H3,(H2,19,21)
InChIKeyFPOSILKFRXOBLN-UHFFFAOYSA-N
XLogP1.80
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-2-phenyl-3-sulfanylidenepropanoyl)piperidine-2-carboxamide
CID 62877915
methyl N-[(1R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 71164933
1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride
CID 119685223
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide
CID 169260137
(2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide
CID 95905191
1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide
CID 55017137
2-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-phenylpropanoic acid
CID 70044514
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
(2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide
CID 156588051
1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 80552235
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide (CID 174658326) is 1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide is CCC(O)(CC)C(C(=O)N1CCCC1C(N)=O)c1ccccc1.
What is the InChIKey of 1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide?
The InChIKey is FPOSILKFRXOBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-18(23,4-2)15(13-9-6-5-7-10-13)17(22)20-12-8-11-14(20)16(19)21/h5-7,9-10,14-15,23H,3-4,8,11-12H2,1-2H3,(H2,19,21).
What are the key properties of 1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide?
1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 174658326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).