1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea

C17H25N3O3 — CID 7544783

IUPAC1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
SMILESCCCCN(C)C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C17H25N3O3/c1-4-5-10-19(2)17(22)18-13-11-16(21)20(12-13)14-6-8-15(23-3)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeySJNGYJRNILXXJD-CYBMUJFWSA-N
MW319.41 g/mol
LogP2.24
Rot. Bonds6

About 1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea

1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea (PubChem CID 7544783) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea.

Molecular Properties

Compound Name1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
PubChem CID7544783
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
SMILESCCCCN(C)C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C17H25N3O3/c1-4-5-10-19(2)17(22)18-13-11-16(21)20(12-13)14-6-8-15(23-3)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeySJNGYJRNILXXJD-CYBMUJFWSA-N
XLogP2.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7543865
3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)-1-methylurea
CID 43969926
1-cyclohexyl-1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18572688
1-[3-(dimethylamino)propyl]-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545082
1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969498
1-ethyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244162
1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18572695
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527
1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea
CID 7548446
3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea
CID 7546668
1-butyl-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea
CID 7552484
1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969867

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea?
The IUPAC name of 1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea (CID 7544783) is 1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea.
What is the SMILES notation for 1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea?
The canonical SMILES for 1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea is CCCCN(C)C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1.
What is the InChIKey of 1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea?
The InChIKey is SJNGYJRNILXXJD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-5-10-19(2)17(22)18-13-11-16(21)20(12-13)14-6-8-15(23-3)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3,(H,18,22)/t13-/m1/s1.
What are the key properties of 1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea?
1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea has a molecular weight of 319.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea is sourced from PubChem (CID 7544783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).