phenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate

C17H23N3O4 — CID 108572395

IUPACphenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate
SMILESCC(C)N1CC(C(=O)NCCNC(=O)Oc2ccccc2)CC1=O
InChIInChI=1S/C17H23N3O4/c1-12(2)20-11-13(10-15(20)21)16(22)18-8-9-19-17(23)24-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyAOVIDGKJOICRLI-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.15
Rot. Bonds6

About phenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate

phenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate (PubChem CID 108572395) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is phenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate
PubChem CID108572395
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Namephenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate
SMILESCC(C)N1CC(C(=O)NCCNC(=O)Oc2ccccc2)CC1=O
InChIInChI=1S/C17H23N3O4/c1-12(2)20-11-13(10-15(20)21)16(22)18-8-9-19-17(23)24-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyAOVIDGKJOICRLI-UHFFFAOYSA-N
XLogP1.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(benzenesulfonamido)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108572384
(3R)-N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 95130167
N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540941
N-(2-hydroxy-2-phenylethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 43427845
tert-butyl N-[3-oxo-3-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethylamino]propyl]carbamate
CID 108537211
5-oxo-1-propan-2-yl-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]pyrrolidine-3-carboxamide
CID 108541077
N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108538490
N-[2-(2-chloropropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108572284
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 43170550
N-(2-aminoethyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119381978
N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108540657
N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108539874

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate?
The IUPAC name of phenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate (CID 108572395) is phenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for phenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate is CC(C)N1CC(C(=O)NCCNC(=O)Oc2ccccc2)CC1=O.
What is the InChIKey of phenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate?
The InChIKey is AOVIDGKJOICRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12(2)20-11-13(10-15(20)21)16(22)18-8-9-19-17(23)24-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of phenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate?
phenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate has a molecular weight of 333.39 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 108572395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).