N-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide

C22H46N2O6 — CID 174152090

IUPACN-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide
SMILESCCCCOCCN(CCCCNC)C(=O)CCOCCOCCOCCOCC
InChIInChI=1S/C22H46N2O6/c1-4-6-13-27-15-12-24(11-8-7-10-23-3)22(25)9-14-28-18-19-30-21-20-29-17-16-26-5-2/h23H,4-21H2,1-3H3
InChIKeyGBDKSDFPFHRJFU-UHFFFAOYSA-N
MW434.62 g/mol
LogP2.11
Rot. Bonds24

About N-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide

N-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide (PubChem CID 174152090) has the molecular formula C22H46N2O6 and a molecular weight of 434.62 g/mol. Its IUPAC name is N-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide
PubChem CID174152090
Molecular FormulaC22H46N2O6
Molecular Weight434.62 g/mol
Exact Mass434.34
IUPAC NameN-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide
SMILESCCCCOCCN(CCCCNC)C(=O)CCOCCOCCOCCOCC
InChIInChI=1S/C22H46N2O6/c1-4-6-13-27-15-12-24(11-8-7-10-23-3)22(25)9-14-28-18-19-30-21-20-29-17-16-26-5-2/h23H,4-21H2,1-3H3
InChIKeyGBDKSDFPFHRJFU-UHFFFAOYSA-N
XLogP2.11
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.62
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine
CID 174152095
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide
CID 174152105
N,N-bis(2-ethoxyethyl)dodecanamide
CID 87526086
2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine
CID 174152104
(Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 101425299
N-(2-methoxyethyl)-N-[2-(methylamino)ethyl]butanamide
CID 143241148
N-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide
CID 122631868
4-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-4-oxobutanoic acid
CID 3642366
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N,N-di(tetradecyl)acetamide
CID 163192847
N-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide
CID 63287771
4-oxo-4-[2-[2-[tetradecanoyl(tetradecyl)amino]ethoxy]ethoxy]butanoic acid
CID 170390222
5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid
CID 4648464

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide?
The IUPAC name of N-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide (CID 174152090) is N-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide.
What is the SMILES notation for N-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide?
The canonical SMILES for N-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide is CCCCOCCN(CCCCNC)C(=O)CCOCCOCCOCCOCC.
What is the InChIKey of N-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide?
The InChIKey is GBDKSDFPFHRJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O6/c1-4-6-13-27-15-12-24(11-8-7-10-23-3)22(25)9-14-28-18-19-30-21-20-29-17-16-26-5-2/h23H,4-21H2,1-3H3.
What are the key properties of N-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide?
N-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide has a molecular weight of 434.62 g/mol, XLogP of 2.11, 24 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide is sourced from PubChem (CID 174152090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).