N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide

C13H27N3O4 — CID 168852472

IUPACN-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
SMILESCCCC(=O)NCCOCCNC(=O)CCOCCN
InChIInChI=1S/C13H27N3O4/c1-2-3-12(17)15-6-10-20-11-7-16-13(18)4-8-19-9-5-14/h2-11,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyKURYKFDNSZTGJE-UHFFFAOYSA-N
MW289.38 g/mol
LogP-0.60
Rot. Bonds13

About N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide

N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide (PubChem CID 168852472) has the molecular formula C13H27N3O4 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
PubChem CID168852472
Molecular FormulaC13H27N3O4
Molecular Weight289.38 g/mol
Exact Mass289.20
IUPAC NameN-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
SMILESCCCC(=O)NCCOCCNC(=O)CCOCCN
InChIInChI=1S/C13H27N3O4/c1-2-3-12(17)15-6-10-20-11-7-16-13(18)4-8-19-9-5-14/h2-11,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyKURYKFDNSZTGJE-UHFFFAOYSA-N
XLogP-0.60
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 176761961
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
3-(2-aminoethoxy)-N-ethylpropanamide
CID 62343432
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 175775195
N-[2-[2-[2-[2-[3-[[2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 170214750
N-[2-(2-aminoethoxy)ethyl]-2-propoxyacetamide
CID 107941598
3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-ethylpropanamide;ethanamine
CID 158863461
(2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]propanoate
CID 166480186
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 145188206

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide?
The IUPAC name of N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide (CID 168852472) is N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide.
What is the SMILES notation for N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide?
The canonical SMILES for N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide is CCCC(=O)NCCOCCNC(=O)CCOCCN.
What is the InChIKey of N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide?
The InChIKey is KURYKFDNSZTGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4/c1-2-3-12(17)15-6-10-20-11-7-16-13(18)4-8-19-9-5-14/h2-11,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide?
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide has a molecular weight of 289.38 g/mol, XLogP of -0.60, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide is sourced from PubChem (CID 168852472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).