2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide

C14H27N3O2 — CID 43402044

IUPAC2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)C(=O)N1CCCCCC1
InChIInChI=1S/C14H27N3O2/c1-11(2)16-13(18)10-15-12(3)14(19)17-8-6-4-5-7-9-17/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyOXNXWWYPBOLDEX-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.89
Rot. Bonds5

About 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide

2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide (PubChem CID 43402044) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide
PubChem CID43402044
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(C)C(=O)N1CCCCCC1
InChIInChI=1S/C14H27N3O2/c1-11(2)16-13(18)10-15-12(3)14(19)17-8-6-4-5-7-9-17/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyOXNXWWYPBOLDEX-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 60945403
2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-N-phenylacetamide
CID 115588967
2-[(2-oxo-2-piperidin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 43402015
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide
CID 113408453
2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43389372
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
2-[(5-bromothiophen-3-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866261
2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one
CID 66178031
N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397981
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089165

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide (CID 43402044) is 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(C)C(=O)N1CCCCCC1.
What is the InChIKey of 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide?
The InChIKey is OXNXWWYPBOLDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(2)16-13(18)10-15-12(3)14(19)17-8-6-4-5-7-9-17/h11-12,15H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide?
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide has a molecular weight of 269.39 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43402044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).