2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone

C16H32N4O6 — CID 619625

IUPAC2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone
SMILESNCC(=O)N1CCOCCOCCN(C(=O)CN)CCOCCOCC1
InChIInChI=1S/C16H32N4O6/c17-13-15(21)19-1-5-23-9-10-25-7-3-20(16(22)14-18)4-8-26-12-11-24-6-2-19/h1-14,17-18H2
InChIKeyJITVAMRWDROXRZ-UHFFFAOYSA-N
MW376.45 g/mol
LogP-2.36
Rot. Bonds2

About 2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone

2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone (PubChem CID 619625) has the molecular formula C16H32N4O6 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone
PubChem CID619625
Molecular FormulaC16H32N4O6
Molecular Weight376.45 g/mol
Exact Mass376.23
IUPAC Name2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone
SMILESNCC(=O)N1CCOCCOCCN(C(=O)CN)CCOCCOCC1
InChIInChI=1S/C16H32N4O6/c17-13-15(21)19-1-5-23-9-10-25-7-3-20(16(22)14-18)4-8-26-12-11-24-6-2-19/h1-14,17-18H2
InChIKeyJITVAMRWDROXRZ-UHFFFAOYSA-N
XLogP-2.36
TPSA129.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 5-2.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone with MolForge

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Related Compounds

2-(13-Carbamoylmethyl-1,4,10-trioxa-7,13-diaza-cyclopentadec-7-yl)-acetamide
CID 3095229
Smr000118449
CID 2829034
2-Amino-1-[16-(2-aminopropanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-YL]propan-1-one
CID 622143
N-(Aminoacetyl)-1-aza-4,7,10-13-tetraoxacyclopentadecane
CID 128593
1,4-Dioxa-7,10,13-triazacyclopentadecane-8,12-dione
CID 12997860
2-Amino-1-[13-(2-aminopropanoyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]propan-1-one
CID 3110897
Ethyl {[(16-{2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl}-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)acetyl]amino}acetate
CID 3849873
1,10-(R,R)-Bis(alpha-alanyl)-1,10-diaza-18-crown-6
CID 7312664
N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide
CID 10044074
Ethyl 2-[[2-[13-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetyl]amino]acetate
CID 10097629
N-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide
CID 10341183
4,7,13,16-Tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane-19,23-dione
CID 17995435

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone?
The IUPAC name of 2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone (CID 619625) is 2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone.
What is the SMILES notation for 2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone?
The canonical SMILES for 2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone is NCC(=O)N1CCOCCOCCN(C(=O)CN)CCOCCOCC1.
What is the InChIKey of 2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone?
The InChIKey is JITVAMRWDROXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O6/c17-13-15(21)19-1-5-23-9-10-25-7-3-20(16(22)14-18)4-8-26-12-11-24-6-2-19/h1-14,17-18H2.
What are the key properties of 2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone?
2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone has a molecular weight of 376.45 g/mol, XLogP of -2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[16-(2-aminoacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethanone is sourced from PubChem (CID 619625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).