3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide

C26H31N3O4 — CID 55902299

IUPAC3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
SMILESCCC(NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C26H31N3O4/c1-2-22(21-10-3-4-11-23(21)33-17-24(30)29-14-5-6-15-29)28-26(32)19-8-7-9-20(16-19)27-25(31)18-12-13-18/h3-4,7-11,16,18,22H,2,5-6,12-15,17H2,1H3,(H,27,31)(H,28,32)
InChIKeyVCLCCZSODUSIBT-UHFFFAOYSA-N
MW449.55 g/mol
LogP3.92
Rot. Bonds9

About 3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide

3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide (PubChem CID 55902299) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
PubChem CID55902299
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
SMILESCCC(NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C26H31N3O4/c1-2-22(21-10-3-4-11-23(21)33-17-24(30)29-14-5-6-15-29)28-26(32)19-8-7-9-20(16-19)27-25(31)18-12-13-18/h3-4,7-11,16,18,22H,2,5-6,12-15,17H2,1H3,(H,27,31)(H,28,32)
InChIKeyVCLCCZSODUSIBT-UHFFFAOYSA-N
XLogP3.92
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 60534577
3-methyl-4-nitro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 55902300
2-methoxy-N-[(1S)-1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 94620134
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
2-(oxolan-2-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 51121409
2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 55901922
N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide
CID 55958604
(2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide
CID 120787234
N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 55957964
N-[3-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 108546400
4-(5-methylpyrazol-1-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 55902810
N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
CID 42427444

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide (CID 55902299) is 3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide is CCC(NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1OCC(=O)N1CCCC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide?
The InChIKey is VCLCCZSODUSIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-2-22(21-10-3-4-11-23(21)33-17-24(30)29-14-5-6-15-29)28-26(32)19-8-7-9-20(16-19)27-25(31)18-12-13-18/h3-4,7-11,16,18,22H,2,5-6,12-15,17H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide?
3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide has a molecular weight of 449.55 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide is sourced from PubChem (CID 55902299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).