N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride

C12H24ClN3O2 — CID 119582890

IUPACN-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CN1CCCCCC1=O.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-10(8-13)14(2)12(17)9-15-7-5-3-4-6-11(15)16;/h10H,3-9,13H2,1-2H3;1H
InChIKeyAZPRYGLRSZZIHW-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.62
Rot. Bonds4

About N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride (PubChem CID 119582890) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride
PubChem CID119582890
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CN1CCCCCC1=O.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-10(8-13)14(2)12(17)9-15-7-5-3-4-6-11(15)16;/h10H,3-9,13H2,1-2H3;1H
InChIKeyAZPRYGLRSZZIHW-UHFFFAOYSA-N
XLogP0.62
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide
CID 124733964
N-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 119584929
N-cyclohexyl-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 51075621
3-[[2-(2-oxoazepan-1-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 60830738
N-cyclopentyl-N-ethyl-2-(2-oxopiperidin-1-yl)acetamide
CID 78864293
N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119617570
N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide
CID 79152627
1-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
CID 119632444
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide
CID 115737376
ethyl 2-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate
CID 21311677
2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid
CID 55007881

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride (CID 119582890) is N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride is CC(CN)N(C)C(=O)CN1CCCCCC1=O.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride?
The InChIKey is AZPRYGLRSZZIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-10(8-13)14(2)12(17)9-15-7-5-3-4-6-11(15)16;/h10H,3-9,13H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119582890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).