1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide

C20H39N3O5 — CID 23503495

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide
SMILESCNCCCCCCN(C)C(=O)C1CCCN1C(=O)COCCOCCOC
InChIInChI=1S/C20H39N3O5/c1-21-10-6-4-5-7-11-22(2)20(25)18-9-8-12-23(18)19(24)17-28-16-15-27-14-13-26-3/h18,21H,4-17H2,1-3H3
InChIKeyAIYHQFZABATVPK-UHFFFAOYSA-N
MW401.55 g/mol
LogP0.90
Rot. Bonds16

About 1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide

1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide (PubChem CID 23503495) has the molecular formula C20H39N3O5 and a molecular weight of 401.55 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide
PubChem CID23503495
Molecular FormulaC20H39N3O5
Molecular Weight401.55 g/mol
Exact Mass401.29
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide
SMILESCNCCCCCCN(C)C(=O)C1CCCN1C(=O)COCCOCCOC
InChIInChI=1S/C20H39N3O5/c1-21-10-6-4-5-7-11-22(2)20(25)18-9-8-12-23(18)19(24)17-28-16-15-27-14-13-26-3/h18,21H,4-17H2,1-3H3
InChIKeyAIYHQFZABATVPK-UHFFFAOYSA-N
XLogP0.90
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ac-Ala-Ala-Pro-Ala-OAla-OEt
CID 90677668
Ac-Pro-Ala-Pro-Ala-OAla-OEt
CID 90677669
Ac-Ala-Ala-Pro-OAla-OAla-OEt
CID 90677670
Pyrrolidin-2-yl-(1,4,7-trioxa-10-aza-cyclododec-10-yl)-methanone
CID 3095254
(2S,4R)-4-amino-N,N-diethyl-1-(methoxyacetyl)pyrrolidine-2-carboxamide
CID 56706730
N-[(5R)-5-(butylamino)-6-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamoyl fluoride
CID 168105207
Ac-Lys(N3)-AEEA-Gly-Lys(N3)-Gly-Lys-NH2
CID 156595617
(2S,4S)-4-amino-1-(butoxyacetyl)-N-isopropylpyrrolidine-2-carboxamide
CID 56703245
N-(7-aminoheptyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide
CID 10111800
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide
CID 10111922
N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide
CID 10133948
N-(5-aminopentyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide
CID 10134065

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide (CID 23503495) is 1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide is CNCCCCCCN(C)C(=O)C1CCCN1C(=O)COCCOCCOC.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide?
The InChIKey is AIYHQFZABATVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O5/c1-21-10-6-4-5-7-11-22(2)20(25)18-9-8-12-23(18)19(24)17-28-16-15-27-14-13-26-3/h18,21H,4-17H2,1-3H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide?
1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 0.90, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 23503495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).