N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide

C14H25N3O2 — CID 119573783

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCC(CN)(NC(=O)CN1CCCCCC1=O)C1CC1
InChIInChI=1S/C14H25N3O2/c1-14(10-15,11-6-7-11)16-12(18)9-17-8-4-2-3-5-13(17)19/h11H,2-10,15H2,1H3,(H,16,18)
InChIKeyMHKPIHRFJLRCDH-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.63
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 119573783) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide
PubChem CID119573783
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCC(CN)(NC(=O)CN1CCCCCC1=O)C1CC1
InChIInChI=1S/C14H25N3O2/c1-14(10-15,11-6-7-11)16-12(18)9-17-8-4-2-3-5-13(17)19/h11H,2-10,15H2,1H3,(H,16,18)
InChIKeyMHKPIHRFJLRCDH-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119575815
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-(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-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119617570
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
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

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide (CID 119573783) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide is CC(CN)(NC(=O)CN1CCCCCC1=O)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is MHKPIHRFJLRCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(10-15,11-6-7-11)16-12(18)9-17-8-4-2-3-5-13(17)19/h11H,2-10,15H2,1H3,(H,16,18).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 267.37 g/mol, XLogP of 0.63, 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-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 119573783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).