N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide

C15H31N3O5 — CID 178161930

IUPACN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide
SMILESCNC(CCC(=O)NCCOCCOCCOCCN)C(C)=O
InChIInChI=1S/C15H31N3O5/c1-13(19)14(17-2)3-4-15(20)18-6-8-22-10-12-23-11-9-21-7-5-16/h14,17H,3-12,16H2,1-2H3,(H,18,20)
InChIKeyYCMBPHXAORCNBB-UHFFFAOYSA-N
MW333.43 g/mol
LogP-0.93
Rot. Bonds16

About N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide

N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide (PubChem CID 178161930) has the molecular formula C15H31N3O5 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide
PubChem CID178161930
Molecular FormulaC15H31N3O5
Molecular Weight333.43 g/mol
Exact Mass333.23
IUPAC NameN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide
SMILESCNC(CCC(=O)NCCOCCOCCOCCN)C(C)=O
InChIInChI=1S/C15H31N3O5/c1-13(19)14(17-2)3-4-15(20)18-6-8-22-10-12-23-11-9-21-7-5-16/h14,17H,3-12,16H2,1-2H3,(H,18,20)
InChIKeyYCMBPHXAORCNBB-UHFFFAOYSA-N
XLogP-0.93
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 5-0.93
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-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide
CID 162756086
[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-4-oxo-1-phosphonobutyl]phosphonic acid
CID 59449890
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
2-(hydroxymethylamino)-5-[2-[2-[2-[2-[2-[2-[[5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 123369218
N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide
CID 153475321
fluoro 2-methyl-5-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]pentanoate
CID 143864219
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
CID 168852472
18-[[1-carboxy-4-[2-[2-[2-[2-[2-[2-[[5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 123869942
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
20-[[6-[2-[2-[2-[2-[2-[2-[[(5S)-7-amino-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2,6-dioxohexan-3-yl]amino]-20-oxoicosanoic acid
CID 159402929
18-[[1-carboxy-4-[2-[2-[2-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[2-[2-[2-[[(5S)-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 139387650

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide?
The IUPAC name of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide (CID 178161930) is N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide.
What is the SMILES notation for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide?
The canonical SMILES for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide is CNC(CCC(=O)NCCOCCOCCOCCN)C(C)=O.
What is the InChIKey of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide?
The InChIKey is YCMBPHXAORCNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O5/c1-13(19)14(17-2)3-4-15(20)18-6-8-22-10-12-23-11-9-21-7-5-16/h14,17H,3-12,16H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide?
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide has a molecular weight of 333.43 g/mol, XLogP of -0.93, 16 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-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(methylamino)-5-oxohexanamide is sourced from PubChem (CID 178161930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).