2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide

C13H26N4O2 — CID 54986600

IUPAC2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)N1CCCNCC1
InChIInChI=1S/C13H26N4O2/c1-3-15-12(18)10-16(4-2)11-13(19)17-8-5-6-14-7-9-17/h14H,3-11H2,1-2H3,(H,15,18)
InChIKeySSGXUFZHDFVAKL-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.73
Rot. Bonds6

About 2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide

2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide (PubChem CID 54986600) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
PubChem CID54986600
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)N1CCCNCC1
InChIInChI=1S/C13H26N4O2/c1-3-15-12(18)10-16(4-2)11-13(19)17-8-5-6-14-7-9-17/h14H,3-11H2,1-2H3,(H,15,18)
InChIKeySSGXUFZHDFVAKL-UHFFFAOYSA-N
XLogP-0.73
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 62657828
[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylcarbamic acid
CID 155126001
2-[(2-amino-2-oxoethyl)-[2-(1,4-diazepan-1-yl)-2-oxoethyl]amino]acetamide
CID 55157405
[2-(1,4-diazepan-1-yl)-2-oxoethyl] N-ethylcarbamate
CID 155126002
N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide
CID 9433175
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
N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 9433201
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 134038335
1-(1,4-diazepan-1-yl)-2-propoxyethanone;hydrochloride
CID 119415667
N-ethyl-2-[ethyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 9433381
N-ethylpiperazine-1-carboxamide
CID 9207783

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide (CID 54986600) is 2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)CC(=O)N1CCCNCC1.
What is the InChIKey of 2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The InChIKey is SSGXUFZHDFVAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-3-15-12(18)10-16(4-2)11-13(19)17-8-5-6-14-7-9-17/h14H,3-11H2,1-2H3,(H,15,18).
What are the key properties of 2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide?
2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide has a molecular weight of 270.38 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 54986600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).