N-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane

C18H37NO3 — CID 155752051

IUPACN-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane
SMILESCC(C)C.CC(C)C(=O)COCCCCCCCCNC=O
InChIInChI=1S/C14H27NO3.C4H10/c1-13(2)14(17)11-18-10-8-6-4-3-5-7-9-15-12-16;1-4(2)3/h12-13H,3-11H2,1-2H3,(H,15,16);4H,1-3H3
InChIKeyLUOMNRSTUTXSSI-UHFFFAOYSA-N
MW315.50 g/mol
LogP3.98
Rot. Bonds13

About N-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane

N-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane (PubChem CID 155752051) has the molecular formula C18H37NO3 and a molecular weight of 315.50 g/mol. Its IUPAC name is N-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane.

Molecular Properties

Compound NameN-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane
PubChem CID155752051
Molecular FormulaC18H37NO3
Molecular Weight315.50 g/mol
Exact Mass315.28
IUPAC NameN-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane
SMILESCC(C)C.CC(C)C(=O)COCCCCCCCCNC=O
InChIInChI=1S/C14H27NO3.C4H10/c1-13(2)14(17)11-18-10-8-6-4-3-5-7-9-15-12-16;1-4(2)3/h12-13H,3-11H2,1-2H3,(H,15,16);4H,1-3H3
InChIKeyLUOMNRSTUTXSSI-UHFFFAOYSA-N
XLogP3.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide
CID 145058844
3-methyl-1-octoxybutan-2-one
CID 79395120
3-methyl-1-[3-[5-(1-sulfanylethylamino)pentoxy]propoxy]butan-2-one
CID 134582659
methane;N-(10-methyl-9-oxoundecyl)formamide
CID 176664599
N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]formamide
CID 155751945
N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide
CID 155739597
N-[3-(4-methylpentoxy)propyl]formamide
CID 167156422
3-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]propyl 2-methylpropanoate
CID 171053377
N-[3-(2-methylbutoxy)propyl]formamide
CID 90045792
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide
CID 170583801
N-(5-formamidopentyl)-2-propan-2-yloxyacetamide
CID 155740899

Frequently Asked Questions

What is the IUPAC name of N-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane?
The IUPAC name of N-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane (CID 155752051) is N-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane.
What is the SMILES notation for N-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane?
The canonical SMILES for N-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane is CC(C)C.CC(C)C(=O)COCCCCCCCCNC=O.
What is the InChIKey of N-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane?
The InChIKey is LUOMNRSTUTXSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3.C4H10/c1-13(2)14(17)11-18-10-8-6-4-3-5-7-9-15-12-16;1-4(2)3/h12-13H,3-11H2,1-2H3,(H,15,16);4H,1-3H3.
What are the key properties of N-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane?
N-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane has a molecular weight of 315.50 g/mol, XLogP of 3.98, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(3-methyl-2-oxobutoxy)octyl]formamide;2-methylpropane is sourced from PubChem (CID 155752051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).