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

C20H39N3O7 — CID 89176712

IUPACN-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
SMILESCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC
InChIInChI=1S/C20H39N3O7/c1-3-5-7-21-19(25)16-29-14-13-28-11-9-23-20(26)17-30-15-12-27-10-8-22-18(24)6-4-2/h3-17H2,1-2H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyWBXVBBJXZWUPAR-UHFFFAOYSA-N
MW433.55 g/mol
LogP0.00
Rot. Bonds21

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

N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide (PubChem CID 89176712) has the molecular formula C20H39N3O7 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
PubChem CID89176712
Molecular FormulaC20H39N3O7
Molecular Weight433.55 g/mol
Exact Mass433.28
IUPAC NameN-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
SMILESCCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC
InChIInChI=1S/C20H39N3O7/c1-3-5-7-21-19(25)16-29-14-13-28-11-9-23-20(26)17-30-15-12-27-10-8-22-18(24)6-4-2/h3-17H2,1-2H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyWBXVBBJXZWUPAR-UHFFFAOYSA-N
XLogP0.00
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 50.00
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-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide
CID 123251408
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide
CID 146625820
N-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxymethyl]propanamide
CID 137465988
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-propoxyethoxy)ethyl]butanamide
CID 88853938
18-[4-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]butylamino]-18-oxooctadecanoic acid
CID 123545676
5-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-5-oxo-2-(propanoylamino)pentanoic acid
CID 143771949
2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid
CID 87275453

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]butanamide?
The IUPAC name of N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide (CID 89176712) is N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide is CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC.
What is the InChIKey of N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide?
The InChIKey is WBXVBBJXZWUPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O7/c1-3-5-7-21-19(25)16-29-14-13-28-11-9-23-20(26)17-30-15-12-27-10-8-22-18(24)6-4-2/h3-17H2,1-2H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide?
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide has a molecular weight of 433.55 g/mol, XLogP of 0.00, 21 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]butanamide is sourced from PubChem (CID 89176712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).