1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea

C16H23N3O3 — CID 7544056

IUPAC1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCOc1cccc(N2C[C@H](NC(=O)NC(C)(C)C)CC2=O)c1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)18-15(21)17-11-8-14(20)19(10-11)12-6-5-7-13(9-12)22-4/h5-7,9,11H,8,10H2,1-4H3,(H2,17,18,21)/t11-/m1/s1
InChIKeyCZGAXHBZGMYEJN-LLVKDONJSA-N
MW305.38 g/mol
LogP1.90
Rot. Bonds3

About 1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea

1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 7544056) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID7544056
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCOc1cccc(N2C[C@H](NC(=O)NC(C)(C)C)CC2=O)c1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)18-15(21)17-11-8-14(20)19(10-11)12-6-5-7-13(9-12)22-4/h5-7,9,11H,8,10H2,1-4H3,(H2,17,18,21)/t11-/m1/s1
InChIKeyCZGAXHBZGMYEJN-LLVKDONJSA-N
XLogP1.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215150
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564211
1-cycloheptyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544202
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
1-(2,5-dimethoxyphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544528
N-[3-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 18564245
N-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7544617
1-(2,5-dimethylphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544495
1-(4-fluorophenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544338
1-(3,4-dimethoxyphenyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564233
1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea
CID 43969825
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea (CID 7544056) is 1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea is COc1cccc(N2C[C@H](NC(=O)NC(C)(C)C)CC2=O)c1.
What is the InChIKey of 1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is CZGAXHBZGMYEJN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)18-15(21)17-11-8-14(20)19(10-11)12-6-5-7-13(9-12)22-4/h5-7,9,11H,8,10H2,1-4H3,(H2,17,18,21)/t11-/m1/s1.
What are the key properties of 1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 305.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 7544056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).