2-(2-ethylazepan-1-yl)butanamide

C12H24N2O — CID 104691437

IUPAC2-(2-ethylazepan-1-yl)butanamide
SMILESCCC1CCCCCN1C(CC)C(N)=O
InChIInChI=1S/C12H24N2O/c1-3-10-8-6-5-7-9-14(10)11(4-2)12(13)15/h10-11H,3-9H2,1-2H3,(H2,13,15)
InChIKeyNMGKAXAWZNBFQF-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.90
Rot. Bonds4

About 2-(2-ethylazepan-1-yl)butanamide

2-(2-ethylazepan-1-yl)butanamide (PubChem CID 104691437) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(2-ethylazepan-1-yl)butanamide.

Molecular Properties

Compound Name2-(2-ethylazepan-1-yl)butanamide
PubChem CID104691437
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(2-ethylazepan-1-yl)butanamide
SMILESCCC1CCCCCN1C(CC)C(N)=O
InChIInChI=1S/C12H24N2O/c1-3-10-8-6-5-7-9-14(10)11(4-2)12(13)15/h10-11H,3-9H2,1-2H3,(H2,13,15)
InChIKeyNMGKAXAWZNBFQF-UHFFFAOYSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid
CID 62900440
3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid
CID 62901019
(2S)-2-(2-propylpyrrolidin-1-yl)butanamide
CID 154632136
2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide
CID 55256655
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
CID 62900480
ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate
CID 64662609
ethyl 2-[2-(2-oxopropyl)azepan-1-yl]butanoate
CID 79560859
2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444
2-(2-ethylpiperidin-1-yl)propanoyl chloride
CID 82040582
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide
CID 111490203
ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate
CID 83042014
3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide
CID 43266529

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylazepan-1-yl)butanamide?
The IUPAC name of 2-(2-ethylazepan-1-yl)butanamide (CID 104691437) is 2-(2-ethylazepan-1-yl)butanamide.
What is the SMILES notation for 2-(2-ethylazepan-1-yl)butanamide?
The canonical SMILES for 2-(2-ethylazepan-1-yl)butanamide is CCC1CCCCCN1C(CC)C(N)=O.
What is the InChIKey of 2-(2-ethylazepan-1-yl)butanamide?
The InChIKey is NMGKAXAWZNBFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-10-8-6-5-7-9-14(10)11(4-2)12(13)15/h10-11H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 2-(2-ethylazepan-1-yl)butanamide?
2-(2-ethylazepan-1-yl)butanamide has a molecular weight of 212.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylazepan-1-yl)butanamide is sourced from PubChem (CID 104691437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).