N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide

C23H45N3O7 — CID 89417865

IUPACN-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
SMILESCCCCCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC
InChIInChI=1S/C23H45N3O7/c1-3-5-7-8-9-21(27)25-11-13-30-15-18-33-20-23(29)26-12-14-31-16-17-32-19-22(28)24-10-6-4-2/h3-20H2,1-2H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyBTLXBPNPIWLGBE-UHFFFAOYSA-N
MW475.63 g/mol
LogP1.17
Rot. Bonds24

About N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide

N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide (PubChem CID 89417865) has the molecular formula C23H45N3O7 and a molecular weight of 475.63 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
PubChem CID89417865
Molecular FormulaC23H45N3O7
Molecular Weight475.63 g/mol
Exact Mass475.33
IUPAC NameN-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
SMILESCCCCCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC
InChIInChI=1S/C23H45N3O7/c1-3-5-7-8-9-21(27)25-11-13-30-15-18-33-20-23(29)26-12-14-31-16-17-32-19-22(28)24-10-6-4-2/h3-20H2,1-2H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyBTLXBPNPIWLGBE-UHFFFAOYSA-N
XLogP1.17
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.63
LogP ≤ 51.17
H-Bond Donors ≤ 53
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-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89136762
N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide
CID 166959227
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid
CID 87275453
4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide
CID 123251408
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
18-[4-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]butylamino]-18-oxooctadecanoic acid
CID 123545676
2-[2-(hexadecanoylamino)ethoxy]acetic acid
CID 3017701
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide?
The IUPAC name of N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide (CID 89417865) is N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide is CCCCCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC.
What is the InChIKey of N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide?
The InChIKey is BTLXBPNPIWLGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3O7/c1-3-5-7-8-9-21(27)25-11-13-30-15-18-33-20-23(29)26-12-14-31-16-17-32-19-22(28)24-10-6-4-2/h3-20H2,1-2H3,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide?
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide has a molecular weight of 475.63 g/mol, XLogP of 1.17, 24 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide is sourced from PubChem (CID 89417865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).