3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide

C13H25NO2 — CID 111539695

IUPAC3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide
SMILESCCC(CC(=O)NCC1(O)CCC1)C(C)C
InChIInChI=1S/C13H25NO2/c1-4-11(10(2)3)8-12(15)14-9-13(16)6-5-7-13/h10-11,16H,4-9H2,1-3H3,(H,14,15)
InChIKeyKCJYSSLGLCBVGE-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.09
Rot. Bonds6

About 3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide

3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide (PubChem CID 111539695) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide
PubChem CID111539695
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide
SMILESCCC(CC(=O)NCC1(O)CCC1)C(C)C
InChIInChI=1S/C13H25NO2/c1-4-11(10(2)3)8-12(15)14-9-13(16)6-5-7-13/h10-11,16H,4-9H2,1-3H3,(H,14,15)
InChIKeyKCJYSSLGLCBVGE-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-[(3-hydroxythiolan-3-yl)methyl]-4-methylpentanamide
CID 111596922
N-[(1-hydroxycyclopentyl)methyl]-3-methylpentanamide
CID 114875416
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
(2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide
CID 104874186
1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid
CID 119176447
N-[(1-hydroxycyclobutyl)methyl]nonanamide
CID 115668880
N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide
CID 65106366
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]butanamide
CID 111445246
1-[(3-ethyl-4-methylpentanoyl)amino]cyclopropane-1-carboxylic acid
CID 115910068
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide
CID 65120418
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 130634547

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide?
The IUPAC name of 3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide (CID 111539695) is 3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide.
What is the SMILES notation for 3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide?
The canonical SMILES for 3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide is CCC(CC(=O)NCC1(O)CCC1)C(C)C.
What is the InChIKey of 3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide?
The InChIKey is KCJYSSLGLCBVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-11(10(2)3)8-12(15)14-9-13(16)6-5-7-13/h10-11,16H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide?
3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide has a molecular weight of 227.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 111539695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).