N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide

C13H26N2O2 — CID 112686819

IUPACN-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCN1CCCCCC1
InChIInChI=1S/C13H26N2O2/c1-12(2)17-11-13(16)14-7-10-15-8-5-3-4-6-9-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyMQAWLPZIRMIXTK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide

N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide (PubChem CID 112686819) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide
PubChem CID112686819
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCN1CCCCCC1
InChIInChI=1S/C13H26N2O2/c1-12(2)17-11-13(16)14-7-10-15-8-5-3-4-6-9-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyMQAWLPZIRMIXTK-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012
2-(2-methoxyethoxy)-N-(2-piperidin-1-ylethyl)acetamide
CID 113223173
2-[2-[2-(azepan-1-yl)ethylamino]-2-oxoethoxy]acetic acid
CID 53211349
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
4-hydroxy-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 79200302
(3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid
CID 2225388
2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 54967720
2-methoxy-N-(4-piperidin-1-ylbutyl)acetamide
CID 110443559
3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
CID 20664926
(3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid
CID 7318552
4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 60850954
2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide
CID 79201801

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide (CID 112686819) is N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide?
The InChIKey is MQAWLPZIRMIXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2)17-11-13(16)14-7-10-15-8-5-3-4-6-9-15/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide?
N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112686819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).