1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea

C19H28N4O3 — CID 136514128

IUPAC1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
SMILESCOc1ccccc1N1CCC(NC(=O)NC(C)CN2CCCC2=O)C1
InChIInChI=1S/C19H28N4O3/c1-14(12-23-10-5-8-18(23)24)20-19(25)21-15-9-11-22(13-15)16-6-3-4-7-17(16)26-2/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H2,20,21,25)
InChIKeyNXJFMTLACIPUEK-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.58
Rot. Bonds6

About 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea

1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea (PubChem CID 136514128) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
PubChem CID136514128
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
SMILESCOc1ccccc1N1CCC(NC(=O)NC(C)CN2CCCC2=O)C1
InChIInChI=1S/C19H28N4O3/c1-14(12-23-10-5-8-18(23)24)20-19(25)21-15-9-11-22(13-15)16-6-3-4-7-17(16)26-2/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H2,20,21,25)
InChIKeyNXJFMTLACIPUEK-UHFFFAOYSA-N
XLogP1.58
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea with MolForge

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Related Compounds

(2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide
CID 124609038
1-cyclobutyl-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 136524316
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 95283473
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119895364
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034
(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100876121
4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 120597287
1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 55933420
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119895345

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea?
The IUPAC name of 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea (CID 136514128) is 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea is COc1ccccc1N1CCC(NC(=O)NC(C)CN2CCCC2=O)C1.
What is the InChIKey of 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea?
The InChIKey is NXJFMTLACIPUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-14(12-23-10-5-8-18(23)24)20-19(25)21-15-9-11-22(13-15)16-6-3-4-7-17(16)26-2/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea?
1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea has a molecular weight of 360.46 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea is sourced from PubChem (CID 136514128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).