1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea

C22H27N3O3 — CID 52512018

IUPAC1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea
SMILESC[C@@H](CN1CCCC1=O)NC(=O)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C22H27N3O3/c1-17(16-25-13-6-11-21(25)26)23-22(27)24-19-9-5-10-20(15-19)28-14-12-18-7-3-2-4-8-18/h2-5,7-10,15,17H,6,11-14,16H2,1H3,(H2,23,24,27)/t17-/m0/s1
InChIKeyKIXVQSZFHNVIJK-KRWDZBQOSA-N
MW381.48 g/mol
LogP3.44
Rot. Bonds8

About 1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea

1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea (PubChem CID 52512018) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea
PubChem CID52512018
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea
SMILESC[C@@H](CN1CCCC1=O)NC(=O)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C22H27N3O3/c1-17(16-25-13-6-11-21(25)26)23-22(27)24-19-9-5-10-20(15-19)28-14-12-18-7-3-2-4-8-18/h2-5,7-10,15,17H,6,11-14,16H2,1H3,(H2,23,24,27)/t17-/m0/s1
InChIKeyKIXVQSZFHNVIJK-KRWDZBQOSA-N
XLogP3.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 94174304
phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 61069095
N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828601
1-[2-(N-methylanilino)phenyl]-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 51963077
1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 94784827
2-[3-(butan-2-ylcarbamoylamino)phenoxy]acetic acid
CID 61188461
3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197538
N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide
CID 54813456
(2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119298734
1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-thiophen-2-ylethynyl)phenyl]urea
CID 47050855
1-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 95152001
1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 95283473

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea?
The IUPAC name of 1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea (CID 52512018) is 1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea.
What is the SMILES notation for 1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea?
The canonical SMILES for 1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea is C[C@@H](CN1CCCC1=O)NC(=O)Nc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of 1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea?
The InChIKey is KIXVQSZFHNVIJK-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17(16-25-13-6-11-21(25)26)23-22(27)24-19-9-5-10-20(15-19)28-14-12-18-7-3-2-4-8-18/h2-5,7-10,15,17H,6,11-14,16H2,1H3,(H2,23,24,27)/t17-/m0/s1.
What are the key properties of 1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea?
1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea has a molecular weight of 381.48 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(2-phenylethoxy)phenyl]urea is sourced from PubChem (CID 52512018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).