N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide

C13H27NO2 — CID 147929425

IUPACN-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
SMILESCCC(=O)NCCC(C)(C)OCCC(C)C
InChIInChI=1S/C13H27NO2/c1-6-12(15)14-9-8-13(4,5)16-10-7-11(2)3/h11H,6-10H2,1-5H3,(H,14,15)
InChIKeyIJOSGBZYHMUOHP-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.74
Rot. Bonds8

About N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide

N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide (PubChem CID 147929425) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide.

Molecular Properties

Compound NameN-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
PubChem CID147929425
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
SMILESCCC(=O)NCCC(C)(C)OCCC(C)C
InChIInChI=1S/C13H27NO2/c1-6-12(15)14-9-8-13(4,5)16-10-7-11(2)3/h11H,6-10H2,1-5H3,(H,14,15)
InChIKeyIJOSGBZYHMUOHP-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
CID 156868708
N-[3-(aminomethoxy)-3-methylbutyl]-4-methylpentanamide
CID 138462196
ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171565273
4-methyl-4-(3-methylbutoxy)pentanoic acid
CID 89044410
N-(4-methylpentyl)propanamide
CID 54140551
3-octadecoxypropyl N-[6-[[3-methyl-3-(3-methylbutoxy)butyl]amino]-6-oxohexyl]carbamate
CID 88586333
tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate
CID 118409061
N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide
CID 146942531
N-[2-(2-hydroxyethyldisulfanyl)ethyl]-3-methyl-3-(3-methylbutoxy)butanamide;methanol
CID 178164257
2,2,5-trimethyl-5-(3-methylbutoxy)hexane
CID 123343377
propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane
CID 167513215
3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide
CID 134502890

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide?
The IUPAC name of N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide (CID 147929425) is N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide.
What is the SMILES notation for N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide?
The canonical SMILES for N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide is CCC(=O)NCCC(C)(C)OCCC(C)C.
What is the InChIKey of N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide?
The InChIKey is IJOSGBZYHMUOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-12(15)14-9-8-13(4,5)16-10-7-11(2)3/h11H,6-10H2,1-5H3,(H,14,15).
What are the key properties of N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide?
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide has a molecular weight of 229.36 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide is sourced from PubChem (CID 147929425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).