N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen

C16H35NO3 — CID 177338040

IUPACN-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen
SMILESCCC(C)CCOCCNC(=O)CCCCOC(C)C.[H][H]
InChIInChI=1S/C16H33NO3.H2/c1-5-15(4)9-12-19-13-10-17-16(18)8-6-7-11-20-14(2)3;/h14-15H,5-13H2,1-4H3,(H,17,18);1H
InChIKeyUYMNYJSAPIMRHE-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.40
Rot. Bonds13

About N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen

N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen (PubChem CID 177338040) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen
PubChem CID177338040
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC NameN-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen
SMILESCCC(C)CCOCCNC(=O)CCCCOC(C)C.[H][H]
InChIInChI=1S/C16H33NO3.H2/c1-5-15(4)9-12-19-13-10-17-16(18)8-6-7-11-20-14(2)3;/h14-15H,5-13H2,1-4H3,(H,17,18);1H
InChIKeyUYMNYJSAPIMRHE-UHFFFAOYSA-N
XLogP3.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.40
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

molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
CID 155739531
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen
CID 155740333
N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
CID 155739554
5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen
CID 177338046
4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
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-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide
CID 155739597
4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide
CID 163400778
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453
N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 166555863
N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide
CID 134351969

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen?
The IUPAC name of N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen (CID 177338040) is N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen.
What is the SMILES notation for N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen?
The canonical SMILES for N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen is CCC(C)CCOCCNC(=O)CCCCOC(C)C.[H][H].
What is the InChIKey of N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen?
The InChIKey is UYMNYJSAPIMRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3.H2/c1-5-15(4)9-12-19-13-10-17-16(18)8-6-7-11-20-14(2)3;/h14-15H,5-13H2,1-4H3,(H,17,18);1H.
What are the key properties of N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen?
N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen has a molecular weight of 289.46 g/mol, XLogP of 3.40, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen is sourced from PubChem (CID 177338040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).