2-heptan-4-yloxyacetamide

C9H19NO2 — CID 145257872

IUPAC2-heptan-4-yloxyacetamide
SMILESCCCC(CCC)OCC(N)=O
InChIInChI=1S/C9H19NO2/c1-3-5-8(6-4-2)12-7-9(10)11/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyFDMZLIBAUDXYPU-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.46
Rot. Bonds7

About 2-heptan-4-yloxyacetamide

2-heptan-4-yloxyacetamide (PubChem CID 145257872) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-heptan-4-yloxyacetamide.

Molecular Properties

Compound Name2-heptan-4-yloxyacetamide
PubChem CID145257872
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-heptan-4-yloxyacetamide
SMILESCCCC(CCC)OCC(N)=O
InChIInChI=1S/C9H19NO2/c1-3-5-8(6-4-2)12-7-9(10)11/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyFDMZLIBAUDXYPU-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-heptan-4-yloxyacetic acid
CID 88738639
2-(1-hydroxypentan-2-yloxy)acetic acid
CID 91235022
2-ethoxypentyl hydrogen carbonate
CID 139923190
2-propylpentanoyl 2-propylpentanoate
CID 10923624
2-(2-amino-2-oxoethoxy)propanoic acid
CID 88812452
(313C)heptan-4-yl acetate
CID 117065532
2-[(2-amino-2-oxoethoxy)amino]-N-pentan-2-ylacetamide
CID 112673773
ethane;ethyl heptan-4-yl carbonate
CID 143752690
silyl 2-propylpentanoate
CID 123713518
ethene;ethyl 2-propylpentanoate
CID 160741230
diheptan-4-yl hydrogen phosphate
CID 22497552
2-ethylpentanamide;hydrochloride
CID 121334657

Frequently Asked Questions

What is the IUPAC name of 2-heptan-4-yloxyacetamide?
The IUPAC name of 2-heptan-4-yloxyacetamide (CID 145257872) is 2-heptan-4-yloxyacetamide.
What is the SMILES notation for 2-heptan-4-yloxyacetamide?
The canonical SMILES for 2-heptan-4-yloxyacetamide is CCCC(CCC)OCC(N)=O.
What is the InChIKey of 2-heptan-4-yloxyacetamide?
The InChIKey is FDMZLIBAUDXYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-5-8(6-4-2)12-7-9(10)11/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 2-heptan-4-yloxyacetamide?
2-heptan-4-yloxyacetamide has a molecular weight of 173.26 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-4-yloxyacetamide is sourced from PubChem (CID 145257872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).