2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide

C13H28N4O — CID 54773681

IUPAC2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CN1CCCNCC1
InChIInChI=1S/C13H28N4O/c1-3-16(4-2)11-8-15-13(18)12-17-9-5-6-14-7-10-17/h14H,3-12H2,1-2H3,(H,15,18)
InChIKeyQGBWJTTWSPNTHV-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.26
Rot. Bonds7

About 2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide

2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 54773681) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide
PubChem CID54773681
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CN1CCCNCC1
InChIInChI=1S/C13H28N4O/c1-3-16(4-2)11-8-15-13(18)12-17-9-5-6-14-7-10-17/h14H,3-12H2,1-2H3,(H,15,18)
InChIKeyQGBWJTTWSPNTHV-UHFFFAOYSA-N
XLogP-0.26
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 54773686
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]propanoate
CID 62837481
2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide
CID 62837051
2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide
CID 82939966
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylacetamide
CID 62636869
2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107317788
2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethoxy]acetic acid
CID 79456856
2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride
CID 119906348
5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide
CID 106235926
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
CID 62839599
2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119446260

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide (CID 54773681) is 2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCNC(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is QGBWJTTWSPNTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-3-16(4-2)11-8-15-13(18)12-17-9-5-6-14-7-10-17/h14H,3-12H2,1-2H3,(H,15,18).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide?
2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 256.39 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 54773681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).