N-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide

C17H20N2O3 — CID 166850917

IUPACN-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide
SMILESO=C(NCC1CCC1)C(=O)C1CNC(=O)[C@@H]1c1ccccc1
InChIInChI=1S/C17H20N2O3/c20-15(17(22)18-9-11-5-4-6-11)13-10-19-16(21)14(13)12-7-2-1-3-8-12/h1-3,7-8,11,13-14H,4-6,9-10H2,(H,18,22)(H,19,21)/t13?,14-/m1/s1
InChIKeyHHTJNKOOICKEFU-ARLHGKGLSA-N
MW300.36 g/mol
LogP1.00
Rot. Bonds5

About N-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide

N-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide (PubChem CID 166850917) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide
PubChem CID166850917
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide
SMILESO=C(NCC1CCC1)C(=O)C1CNC(=O)[C@@H]1c1ccccc1
InChIInChI=1S/C17H20N2O3/c20-15(17(22)18-9-11-5-4-6-11)13-10-19-16(21)14(13)12-7-2-1-3-8-12/h1-3,7-8,11,13-14H,4-6,9-10H2,(H,18,22)(H,19,21)/t13?,14-/m1/s1
InChIKeyHHTJNKOOICKEFU-ARLHGKGLSA-N
XLogP1.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide
CID 138523583
(3R,4S)-4-(hydroxymethyl)-3-phenylpyrrolidin-2-one
CID 138523438
N-(cyclohexylmethyl)-2-[(6S)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide
CID 123742705
N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43298737
2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide
CID 119461037
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride
CID 119461036
N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 86810389
1-benzamido-3-(cyclobutylmethyl)urea
CID 47254058
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide
CID 134349862
2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-2-oxo-N-propan-2-yloxyacetamide
CID 154608643

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide (CID 166850917) is N-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide is O=C(NCC1CCC1)C(=O)C1CNC(=O)[C@@H]1c1ccccc1.
What is the InChIKey of N-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide?
The InChIKey is HHTJNKOOICKEFU-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-15(17(22)18-9-11-5-4-6-11)13-10-19-16(21)14(13)12-7-2-1-3-8-12/h1-3,7-8,11,13-14H,4-6,9-10H2,(H,18,22)(H,19,21)/t13?,14-/m1/s1.
What are the key properties of N-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide?
N-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-oxo-2-[(4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 166850917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).