N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide

C18H35N3O7 — CID 10111922

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide
SMILESCOCCOCCOCC(=O)N1CCCC1C(=O)NCCOCCOCCN
InChIInChI=1S/C18H35N3O7/c1-24-9-10-27-13-14-28-15-17(22)21-6-2-3-16(21)18(23)20-5-8-26-12-11-25-7-4-19/h16H,2-15,19H2,1H3,(H,20,23)
InChIKeyCXYFIBFEHLLSQN-UHFFFAOYSA-N
MW405.49 g/mol
LogP-1.23
Rot. Bonds17

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide (PubChem CID 10111922) has the molecular formula C18H35N3O7 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide
PubChem CID10111922
Molecular FormulaC18H35N3O7
Molecular Weight405.49 g/mol
Exact Mass405.25
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide
SMILESCOCCOCCOCC(=O)N1CCCC1C(=O)NCCOCCOCCN
InChIInChI=1S/C18H35N3O7/c1-24-9-10-27-13-14-28-15-17(22)21-6-2-3-16(21)18(23)20-5-8-26-12-11-25-7-4-19/h16H,2-15,19H2,1H3,(H,20,23)
InChIKeyCXYFIBFEHLLSQN-UHFFFAOYSA-N
XLogP-1.23
TPSA121.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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
(2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide
CID 70966982
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
1-(2-methoxy-2-methylpropanoyl)-N-methylpyrrolidine-2-carboxamide
CID 103028998
2-[2-[2-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 176433388
(2S,4S)-4-amino-1-(butoxyacetyl)-N-isopropylpyrrolidine-2-carboxamide
CID 56703245
l-Prolylglycine, N-methoxycarbonyl-, propyl ester
CID 91713185
N-(7-aminoheptyl)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-methylamino]-3-methylbutanamide
CID 10111800

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide (CID 10111922) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide is COCCOCCOCC(=O)N1CCCC1C(=O)NCCOCCOCCN.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is CXYFIBFEHLLSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O7/c1-24-9-10-27-13-14-28-15-17(22)21-6-2-3-16(21)18(23)20-5-8-26-12-11-25-7-4-19/h16H,2-15,19H2,1H3,(H,20,23).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 405.49 g/mol, XLogP of -1.23, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10111922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).