1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one

C22H32N2O3 — CID 155500622

IUPAC1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one
SMILESCCCC[C@@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)C[C@H](C(C)C)O1
InChIInChI=1S/C22H32N2O3/c1-4-5-10-19-14-23(15-20(27-19)16(2)3)22(26)17-8-6-9-18(13-17)24-12-7-11-21(24)25/h6,8-9,13,16,19-20H,4-5,7,10-12,14-15H2,1-3H3/t19-,20-/m1/s1
InChIKeyWWIIGUDRHCVWJQ-WOJBJXKFSA-N
MW372.51 g/mol
LogP3.87
Rot. Bonds6

About 1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one

1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 155500622) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID155500622
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one
SMILESCCCC[C@@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)C[C@H](C(C)C)O1
InChIInChI=1S/C22H32N2O3/c1-4-5-10-19-14-23(15-20(27-19)16(2)3)22(26)17-8-6-9-18(13-17)24-12-7-11-21(24)25/h6,8-9,13,16,19-20H,4-5,7,10-12,14-15H2,1-3H3/t19-,20-/m1/s1
InChIKeyWWIIGUDRHCVWJQ-WOJBJXKFSA-N
XLogP3.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
CID 155912977
(3S,4S)-4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120953582
2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125119172
1-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 119594404
1-[3-[(6R)-4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one
CID 97130043
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55895253
1-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]pyrrolidin-2-one
CID 3240026
1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 18145970
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 110310472
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727203

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one (CID 155500622) is 1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one is CCCC[C@@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)C[C@H](C(C)C)O1.
What is the InChIKey of 1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is WWIIGUDRHCVWJQ-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-4-5-10-19-14-23(15-20(27-19)16(2)3)22(26)17-8-6-9-18(13-17)24-12-7-11-21(24)25/h6,8-9,13,16,19-20H,4-5,7,10-12,14-15H2,1-3H3/t19-,20-/m1/s1.
What are the key properties of 1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one?
1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 372.51 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 155500622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).