N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide

C21H29N3O4 — CID 139009117

IUPACN-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
SMILESO=C1CCCN1CC(NC(=O)N1CCOC2(CCOCC2)C1)c1ccccc1
InChIInChI=1S/C21H29N3O4/c25-19-7-4-10-23(19)15-18(17-5-2-1-3-6-17)22-20(26)24-11-14-28-21(16-24)8-12-27-13-9-21/h1-3,5-6,18H,4,7-16H2,(H,22,26)
InChIKeyKAFUSOJUPKAUGO-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.94
Rot. Bonds4

About N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide

N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide (PubChem CID 139009117) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
PubChem CID139009117
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
SMILESO=C1CCCN1CC(NC(=O)N1CCOC2(CCOCC2)C1)c1ccccc1
InChIInChI=1S/C21H29N3O4/c25-19-7-4-10-23(19)15-18(17-5-2-1-3-6-17)22-20(26)24-11-14-28-21(16-24)8-12-27-13-9-21/h1-3,5-6,18H,4,7-16H2,(H,22,26)
InChIKeyKAFUSOJUPKAUGO-UHFFFAOYSA-N
XLogP1.94
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
CID 87003255
N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 99619266
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-thiophen-2-ylacetamide
CID 51082883
N-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 125446395
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-3-carboxamide
CID 47043425
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide
CID 47043426
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51954274
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 94198526
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide
CID 55749749
2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide
CID 94799256
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 94029267

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide (CID 139009117) is N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide is O=C1CCCN1CC(NC(=O)N1CCOC2(CCOCC2)C1)c1ccccc1.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide?
The InChIKey is KAFUSOJUPKAUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c25-19-7-4-10-23(19)15-18(17-5-2-1-3-6-17)22-20(26)24-11-14-28-21(16-24)8-12-27-13-9-21/h1-3,5-6,18H,4,7-16H2,(H,22,26).
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide?
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 139009117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).