2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride

C11H23ClN4O2 — CID 119906348

IUPAC2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride
SMILESCCCNC(=O)NC(=O)CN1CCCNCC1.Cl
InChIInChI=1S/C11H22N4O2.ClH/c1-2-4-13-11(17)14-10(16)9-15-7-3-5-12-6-8-15;/h12H,2-9H2,1H3,(H2,13,14,16,17);1H
InChIKeyHJBZBIRLYMSSRO-UHFFFAOYSA-N
MW278.78 g/mol
LogP-0.06
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride

2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride (PubChem CID 119906348) has the molecular formula C11H23ClN4O2 and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride
PubChem CID119906348
Molecular FormulaC11H23ClN4O2
Molecular Weight278.78 g/mol
Exact Mass278.15
IUPAC Name2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride
SMILESCCCNC(=O)NC(=O)CN1CCCNCC1.Cl
InChIInChI=1S/C11H22N4O2.ClH/c1-2-4-13-11(17)14-10(16)9-15-7-3-5-12-6-8-15;/h12H,2-9H2,1H3,(H2,13,14,16,17);1H
InChIKeyHJBZBIRLYMSSRO-UHFFFAOYSA-N
XLogP-0.06
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43162386
N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162505
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 54773681
2-[(3R)-3-methylpiperidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8903288
2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide
CID 82939966
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119906765
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 62654269
2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide
CID 62837051

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride (CID 119906348) is 2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride is CCCNC(=O)NC(=O)CN1CCCNCC1.Cl.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride?
The InChIKey is HJBZBIRLYMSSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2.ClH/c1-2-4-13-11(17)14-10(16)9-15-7-3-5-12-6-8-15;/h12H,2-9H2,1H3,(H2,13,14,16,17);1H.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride?
2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride is sourced from PubChem (CID 119906348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).