formic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide

C16H33NO4 — CID 144871353

IUPACformic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide
SMILESCCC(C)C(C(CC)OC)N(C)C(=O)CC(C)C.O=CO
InChIInChI=1S/C15H31NO2.CH2O2/c1-8-12(5)15(13(9-2)18-7)16(6)14(17)10-11(3)4;2-1-3/h11-13,15H,8-10H2,1-7H3;1H,(H,2,3)
InChIKeyGTVFRYBOYYUUJS-UHFFFAOYSA-N
MW303.44 g/mol
LogP3.03
Rot. Bonds8

About formic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide

formic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide (PubChem CID 144871353) has the molecular formula C16H33NO4 and a molecular weight of 303.44 g/mol. Its IUPAC name is formic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Nameformic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide
PubChem CID144871353
Molecular FormulaC16H33NO4
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC Nameformic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide
SMILESCCC(C)C(C(CC)OC)N(C)C(=O)CC(C)C.O=CO
InChIInChI=1S/C15H31NO2.CH2O2/c1-8-12(5)15(13(9-2)18-7)16(6)14(17)10-11(3)4;2-1-3/h11-13,15H,8-10H2,1-7H3;1H,(H,2,3)
InChIKeyGTVFRYBOYYUUJS-UHFFFAOYSA-N
XLogP3.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide?
The IUPAC name of formic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide (CID 144871353) is formic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide.
What is the SMILES notation for formic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide?
The canonical SMILES for formic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide is CCC(C)C(C(CC)OC)N(C)C(=O)CC(C)C.O=CO.
What is the InChIKey of formic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide?
The InChIKey is GTVFRYBOYYUUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2.CH2O2/c1-8-12(5)15(13(9-2)18-7)16(6)14(17)10-11(3)4;2-1-3/h11-13,15H,8-10H2,1-7H3;1H,(H,2,3).
What are the key properties of formic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide?
formic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide has a molecular weight of 303.44 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide is sourced from PubChem (CID 144871353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).