4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide

C13H27NO3 — CID 176759210

IUPAC4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
SMILESCC(C)CCC(=O)NCCOCCOC(C)C
InChIInChI=1S/C13H27NO3/c1-11(2)5-6-13(15)14-7-8-16-9-10-17-12(3)4/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyWBRADTISASCFMF-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.98
Rot. Bonds10

About 4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide

4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide (PubChem CID 176759210) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
PubChem CID176759210
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
SMILESCC(C)CCC(=O)NCCOCCOC(C)C
InChIInChI=1S/C13H27NO3/c1-11(2)5-6-13(15)14-7-8-16-9-10-17-12(3)4/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyWBRADTISASCFMF-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.98
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-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
CID 155739554
molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
CID 155739531
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide
CID 162756086
4-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 171803932
N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 166555863
3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 176825441
4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide
CID 156733351
N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide
CID 134351969
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide
CID 176953270
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473
3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide?
The IUPAC name of 4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide (CID 176759210) is 4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide?
The canonical SMILES for 4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide is CC(C)CCC(=O)NCCOCCOC(C)C.
What is the InChIKey of 4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide?
The InChIKey is WBRADTISASCFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-11(2)5-6-13(15)14-7-8-16-9-10-17-12(3)4/h11-12H,5-10H2,1-4H3,(H,14,15).
What are the key properties of 4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide?
4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide has a molecular weight of 245.36 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide is sourced from PubChem (CID 176759210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).