(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide

C19H28N2O3 — CID 9465248

IUPAC(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1
InChIInChI=1S/C19H28N2O3/c1-14(2)24-11-7-10-20-19(23)17-12-18(22)21(13-17)15(3)16-8-5-4-6-9-16/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3,(H,20,23)/t15-,17-/m1/s1
InChIKeyWTVAGWCNIQQSQR-NVXWUHKLSA-N
MW332.44 g/mol
LogP2.53
Rot. Bonds8

About (3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide

(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide (PubChem CID 9465248) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
PubChem CID9465248
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1
InChIInChI=1S/C19H28N2O3/c1-14(2)24-11-7-10-20-19(23)17-12-18(22)21(13-17)15(3)16-8-5-4-6-9-16/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3,(H,20,23)/t15-,17-/m1/s1
InChIKeyWTVAGWCNIQQSQR-NVXWUHKLSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

5-oxo-1-(1-phenylethyl)-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113183406
N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540941
N-(2-aminoethyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119381978
N-[2-(2-chloropropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108572284
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540900
(3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95134283
N-[2-(4-aminophenyl)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 119547411
N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108539874
5-oxo-N-[2-(oxolane-2-carbonylamino)ethyl]-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540911
5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119444737
methyl (E)-4-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]but-2-enoate
CID 167921218
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 120945493

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide (CID 9465248) is (3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide is CC(C)OCCCNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1.
What is the InChIKey of (3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide?
The InChIKey is WTVAGWCNIQQSQR-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(2)24-11-7-10-20-19(23)17-12-18(22)21(13-17)15(3)16-8-5-4-6-9-16/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3,(H,20,23)/t15-,17-/m1/s1.
What are the key properties of (3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide?
(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 9465248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).