methyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate

C18H25N3O4 — CID 75456145

IUPACmethyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate
SMILESCCC(C)(CC(=O)OC)NC(=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C18H25N3O4/c1-4-18(2,12-16(23)25-3)20-17(24)19-13-8-5-6-9-14(13)21-11-7-10-15(21)22/h5-6,8-9H,4,7,10-12H2,1-3H3,(H2,19,20,24)
InChIKeyGCXBFXPTLIFHSY-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.67
Rot. Bonds6

About methyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate

methyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate (PubChem CID 75456145) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is methyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate
PubChem CID75456145
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Namemethyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate
SMILESCCC(C)(CC(=O)OC)NC(=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C18H25N3O4/c1-4-18(2,12-16(23)25-3)20-17(24)19-13-8-5-6-9-14(13)21-11-7-10-15(21)22/h5-6,8-9H,4,7,10-12H2,1-3H3,(H2,19,20,24)
InChIKeyGCXBFXPTLIFHSY-UHFFFAOYSA-N
XLogP2.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide
CID 76885109
(2R)-2-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 103794249
2-(2-methoxyethylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 112722629
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-ethylphenoxy)acetate
CID 55468169
2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61250864
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111630126
N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 26542779
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 51945595
N-(2,6-dimethylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 17491113

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate?
The IUPAC name of methyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate (CID 75456145) is methyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate.
What is the SMILES notation for methyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate?
The canonical SMILES for methyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate is CCC(C)(CC(=O)OC)NC(=O)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of methyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate?
The InChIKey is GCXBFXPTLIFHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-4-18(2,12-16(23)25-3)20-17(24)19-13-8-5-6-9-14(13)21-11-7-10-15(21)22/h5-6,8-9H,4,7,10-12H2,1-3H3,(H2,19,20,24).
What are the key properties of methyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate?
methyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate has a molecular weight of 347.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate is sourced from PubChem (CID 75456145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).