N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride

C15H28ClN3O2 — CID 119575815

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
SMILESCC(CN)(NC(=O)CN1CCCCCCC1=O)C1CC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-15(11-16,12-7-8-12)17-13(19)10-18-9-5-3-2-4-6-14(18)20;/h12H,2-11,16H2,1H3,(H,17,19);1H
InChIKeyQGJLQEMAXQQORV-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.44
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride (PubChem CID 119575815) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
PubChem CID119575815
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
SMILESCC(CN)(NC(=O)CN1CCCCCCC1=O)C1CC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-15(11-16,12-7-8-12)17-13(19)10-18-9-5-3-2-4-6-14(18)20;/h12H,2-11,16H2,1H3,(H,17,19);1H
InChIKeyQGJLQEMAXQQORV-UHFFFAOYSA-N
XLogP1.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide
CID 119573783
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81485956
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81486507
N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide
CID 119602522
N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119617570
N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119478869
N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119621354
N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 115968684
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid
CID 66173577

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride (CID 119575815) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride is CC(CN)(NC(=O)CN1CCCCCCC1=O)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
The InChIKey is QGJLQEMAXQQORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-15(11-16,12-7-8-12)17-13(19)10-18-9-5-3-2-4-6-14(18)20;/h12H,2-11,16H2,1H3,(H,17,19);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119575815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).