N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide

C21H39N3O7 — CID 146625820

IUPACN-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide
SMILESC=CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC
InChIInChI=1S/C21H39N3O7/c1-3-5-6-8-22-20(26)17-30-15-14-29-12-10-24-21(27)18-31-16-13-28-11-9-23-19(25)7-4-2/h3H,1,4-18H2,2H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyOMVXJSPTGHVRBV-UHFFFAOYSA-N
MW445.56 g/mol
LogP0.17
Rot. Bonds22

About N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide

N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide (PubChem CID 146625820) has the molecular formula C21H39N3O7 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide
PubChem CID146625820
Molecular FormulaC21H39N3O7
Molecular Weight445.56 g/mol
Exact Mass445.28
IUPAC NameN-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide
SMILESC=CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC
InChIInChI=1S/C21H39N3O7/c1-3-5-6-8-22-20(26)17-30-15-14-29-12-10-24-21(27)18-31-16-13-28-11-9-23-19(25)7-4-2/h3H,1,4-18H2,2H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyOMVXJSPTGHVRBV-UHFFFAOYSA-N
XLogP0.17
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide with MolForge

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Related Compounds

N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide
CID 123251408
N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide
CID 167120593
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
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
2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide
CID 167460512
N-but-3-enylbutanamide
CID 54459050
N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide
CID 151761639
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-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide?
The IUPAC name of N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide (CID 146625820) is N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide is C=CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC.
What is the InChIKey of N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide?
The InChIKey is OMVXJSPTGHVRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O7/c1-3-5-6-8-22-20(26)17-30-15-14-29-12-10-24-21(27)18-31-16-13-28-11-9-23-19(25)7-4-2/h3H,1,4-18H2,2H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide?
N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 445.56 g/mol, XLogP of 0.17, 22 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 146625820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).