2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide

C16H33NO2 — CID 139403486

IUPAC2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide
SMILESCC(C)CCOCCNC(=O)C(C)CC(C)C(C)C
InChIInChI=1S/C16H33NO2/c1-12(2)7-9-19-10-8-17-16(18)15(6)11-14(5)13(3)4/h12-15H,7-11H2,1-6H3,(H,17,18)
InChIKeyDGZUMQKFPRNANO-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.48
Rot. Bonds10

About 2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide

2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide (PubChem CID 139403486) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide
PubChem CID139403486
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide
SMILESCC(C)CCOCCNC(=O)C(C)CC(C)C(C)C
InChIInChI=1S/C16H33NO2/c1-12(2)7-9-19-10-8-17-16(18)15(6)11-14(5)13(3)4/h12-15H,7-11H2,1-6H3,(H,17,18)
InChIKeyDGZUMQKFPRNANO-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(4-methylpentoxy)ethyl]butanamide
CID 156530460
(2S)-2-amino-3-methyl-N-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethyl]butanamide
CID 82961460
ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171565273
2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane
CID 155748733
2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463945
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide
CID 79814605
2-methyl-N-[2-[2-[2-[2-[2-(5-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 167576629
5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
CID 79209495
N-[2-(4-methylpentoxy)ethyl]acetamide
CID 138727622

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide?
The IUPAC name of 2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide (CID 139403486) is 2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide?
The canonical SMILES for 2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide is CC(C)CCOCCNC(=O)C(C)CC(C)C(C)C.
What is the InChIKey of 2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide?
The InChIKey is DGZUMQKFPRNANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-12(2)7-9-19-10-8-17-16(18)15(6)11-14(5)13(3)4/h12-15H,7-11H2,1-6H3,(H,17,18).
What are the key properties of 2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide?
2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide has a molecular weight of 271.44 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide is sourced from PubChem (CID 139403486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).