2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide

C11H21N5O3 — CID 55157405

IUPAC2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide
SMILESNC(=O)CN(CC(N)=O)CC(=O)N1CCCNCC1
InChIInChI=1S/C11H21N5O3/c12-9(17)6-15(7-10(13)18)8-11(19)16-4-1-2-14-3-5-16/h14H,1-8H2,(H2,12,17)(H2,13,18)
InChIKeyQICISISZHXQNCC-UHFFFAOYSA-N
MW271.32 g/mol
LogP-2.92
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide

2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide (PubChem CID 55157405) has the molecular formula C11H21N5O3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide
PubChem CID55157405
Molecular FormulaC11H21N5O3
Molecular Weight271.32 g/mol
Exact Mass271.16
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide
SMILESNC(=O)CN(CC(N)=O)CC(=O)N1CCCNCC1
InChIInChI=1S/C11H21N5O3/c12-9(17)6-15(7-10(13)18)8-11(19)16-4-1-2-14-3-5-16/h14H,1-8H2,(H2,12,17)(H2,13,18)
InChIKeyQICISISZHXQNCC-UHFFFAOYSA-N
XLogP-2.92
TPSA121.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-2.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(2-amino-2-oxoethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 62922120
2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 54986600
[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylcarbamic acid
CID 155126001
1-(1,4-diazepan-1-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010945
1-(1,4-diazepan-1-yl)butan-1-one
CID 10631004
2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide
CID 60801064
1-(1,4-diazepan-1-yl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 55226180
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one
CID 79199915
6-(1,4-diazepan-1-yl)-6-oxohexanoic acid
CID 61405469
ethane;ethyl 1,4-diazepane-1-carboxylate
CID 143666787
1-(1,4-diazepan-1-yl)-5,5-dimethylhexan-1-one
CID 119418751

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide (CID 55157405) is 2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide is NC(=O)CN(CC(N)=O)CC(=O)N1CCCNCC1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide?
The InChIKey is QICISISZHXQNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3/c12-9(17)6-15(7-10(13)18)8-11(19)16-4-1-2-14-3-5-16/h14H,1-8H2,(H2,12,17)(H2,13,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide?
2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide has a molecular weight of 271.32 g/mol, XLogP of -2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 55157405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).