N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide

C15H31NO3 — CID 134351969

IUPACN-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide
SMILESCC(C)CCNC(=O)CCOCCCCOC(C)C
InChIInChI=1S/C15H31NO3/c1-13(2)7-9-16-15(17)8-12-18-10-5-6-11-19-14(3)4/h13-14H,5-12H2,1-4H3,(H,16,17)
InChIKeyIXIQZFPDTFNKBT-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.76
Rot. Bonds12

About N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide

N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide (PubChem CID 134351969) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide
PubChem CID134351969
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC NameN-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide
SMILESCC(C)CCNC(=O)CCOCCCCOC(C)C
InChIInChI=1S/C15H31NO3/c1-13(2)7-9-16-15(17)8-12-18-10-5-6-11-19-14(3)4/h13-14H,5-12H2,1-4H3,(H,16,17)
InChIKeyIXIQZFPDTFNKBT-UHFFFAOYSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473
N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
CID 155739554
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide
CID 170123968
N-(3-methylbutyl)-3-[3-[3-[2-(1-sulfanylethylamino)ethoxy]propanoylamino]propoxy]propanamide
CID 170022349
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide
CID 176717444
N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
CID 177260511
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
CID 155739531
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide?
The IUPAC name of N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide (CID 134351969) is N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide is CC(C)CCNC(=O)CCOCCCCOC(C)C.
What is the InChIKey of N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide?
The InChIKey is IXIQZFPDTFNKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-13(2)7-9-16-15(17)8-12-18-10-5-6-11-19-14(3)4/h13-14H,5-12H2,1-4H3,(H,16,17).
What are the key properties of N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide?
N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide has a molecular weight of 273.42 g/mol, XLogP of 2.76, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide is sourced from PubChem (CID 134351969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).