2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate

C23H27N3O5 — CID 56577209

IUPAC2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NC(=O)C(c2ccccc2)N2CCCCC2=O)c1
InChIInChI=1S/C23H27N3O5/c1-30-14-15-31-23(29)25-19-11-7-10-18(16-19)24-22(28)21(17-8-3-2-4-9-17)26-13-6-5-12-20(26)27/h2-4,7-11,16,21H,5-6,12-15H2,1H3,(H,24,28)(H,25,29)
InChIKeyYGHMOCGUTXFGLQ-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.57
Rot. Bonds8

About 2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate

2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate (PubChem CID 56577209) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate
PubChem CID56577209
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NC(=O)C(c2ccccc2)N2CCCCC2=O)c1
InChIInChI=1S/C23H27N3O5/c1-30-14-15-31-23(29)25-19-11-7-10-18(16-19)24-22(28)21(17-8-3-2-4-9-17)26-13-6-5-12-20(26)27/h2-4,7-11,16,21H,5-6,12-15H2,1H3,(H,24,28)(H,25,29)
InChIKeyYGHMOCGUTXFGLQ-UHFFFAOYSA-N
XLogP3.57
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid
CID 119219540
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814
N-(3-cyclopentyloxyphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515228
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 56515108
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 56577093
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513978
N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56516841
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515457
N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577911
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 56515984
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513321
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate (CID 56577209) is 2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate is COCCOC(=O)Nc1cccc(NC(=O)C(c2ccccc2)N2CCCCC2=O)c1.
What is the InChIKey of 2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate?
The InChIKey is YGHMOCGUTXFGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-30-14-15-31-23(29)25-19-11-7-10-18(16-19)24-22(28)21(17-8-3-2-4-9-17)26-13-6-5-12-20(26)27/h2-4,7-11,16,21H,5-6,12-15H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate?
2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate has a molecular weight of 425.49 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate is sourced from PubChem (CID 56577209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).