acetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C15H31NO5 — CID 177324913

IUPACacetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)CCCC(=O)O.CC(N)=O.CCCC
InChIInChI=1S/C9H16O4.C4H10.C2H5NO/c1-9(2,3)13-8(12)6-4-5-7(10)11;1-3-4-2;1-2(3)4/h4-6H2,1-3H3,(H,10,11);3-4H2,1-2H3;1H3,(H2,3,4)
InChIKeyHOUVEWFYZPULCV-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.88
Rot. Bonds5

About acetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

acetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 177324913) has the molecular formula C15H31NO5 and a molecular weight of 305.42 g/mol. Its IUPAC name is acetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Nameacetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID177324913
Molecular FormulaC15H31NO5
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Nameacetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)CCCC(=O)O.CC(N)=O.CCCC
InChIInChI=1S/C9H16O4.C4H10.C2H5NO/c1-9(2,3)13-8(12)6-4-5-7(10)11;1-3-4-2;1-2(3)4/h4-6H2,1-3H3,(H,10,11);3-4H2,1-2H3;1H3,(H2,3,4)
InChIKeyHOUVEWFYZPULCV-UHFFFAOYSA-N
XLogP2.88
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl pentanoate;hydrazine
CID 174371267
ditert-butyl pentanedioate
CID 3016405
5-(2-methylhexan-2-yloxy)-5-oxopentanoic acid
CID 174159851
butane;tert-butyl nonanoate
CID 175191905
acetic acid;tert-butyl 5-oxoheptanoate
CID 91473656
acetamide;pentanedioic acid
CID 160895913
tert-butyl 7-amino-7-oxoheptanoate
CID 88902812
tert-butyl octacosanoate
CID 174872722
tert-butyl octanoate;oxalic acid
CID 175523196
tert-butyl decanoate;hydrochloride
CID 172828660
tert-butyl decanoate;hydrobromide
CID 172791977
tert-butyl dodecanoate;hydrate
CID 159574999

Frequently Asked Questions

What is the IUPAC name of acetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of acetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 177324913) is acetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for acetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for acetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CC(C)(C)OC(=O)CCCC(=O)O.CC(N)=O.CCCC.
What is the InChIKey of acetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is HOUVEWFYZPULCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.C4H10.C2H5NO/c1-9(2,3)13-8(12)6-4-5-7(10)11;1-3-4-2;1-2(3)4/h4-6H2,1-3H3,(H,10,11);3-4H2,1-2H3;1H3,(H2,3,4).
What are the key properties of acetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
acetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 305.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;butane;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 177324913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).