1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea

C17H25N3O3 — CID 45241705

IUPAC1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC1CC(=O)N(CC(C)(C)C)C1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)11-20-10-12(9-15(20)21)18-16(22)19-13-7-5-6-8-14(13)23-4/h5-8,12H,9-11H2,1-4H3,(H2,18,19,22)
InChIKeyOMVANGSWNSKSGS-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.46
Rot. Bonds4

About 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea

1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea (PubChem CID 45241705) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
PubChem CID45241705
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC1CC(=O)N(CC(C)(C)C)C1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)11-20-10-12(9-15(20)21)18-16(22)19-13-7-5-6-8-14(13)23-4/h5-8,12H,9-11H2,1-4H3,(H2,18,19,22)
InChIKeyOMVANGSWNSKSGS-UHFFFAOYSA-N
XLogP2.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513461
1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
CID 7215573
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 25461445
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 25461444
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-chloro-2-methoxy-5-methylphenyl)urea
CID 108876656
1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 45198219
methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876461
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-phenylsulfanylacetamide
CID 42525734
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide
CID 45224983
1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea
CID 175838371
1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylphenyl)urea
CID 7552485
methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
CID 45196047

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea (CID 45241705) is 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NC1CC(=O)N(CC(C)(C)C)C1.
What is the InChIKey of 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is OMVANGSWNSKSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)11-20-10-12(9-15(20)21)18-16(22)19-13-7-5-6-8-14(13)23-4/h5-8,12H,9-11H2,1-4H3,(H2,18,19,22).
What are the key properties of 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea?
1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 319.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 45241705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).