N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen

C19H41NO5 — CID 155739554

IUPACN-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
SMILESCC(C)CCCOCCOCCOCCNC(=O)CCCOC(C)C.[H][H]
InChIInChI=1S/C19H39NO5.H2/c1-17(2)7-5-10-22-13-15-24-16-14-23-12-9-20-19(21)8-6-11-25-18(3)4;/h17-18H,5-16H2,1-4H3,(H,20,21);1H
InChIKeyFVBNTFDJCHINMO-UHFFFAOYSA-N
MW363.54 g/mol
LogP3.04
Rot. Bonds18

About N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen

N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen (PubChem CID 155739554) has the molecular formula C19H41NO5 and a molecular weight of 363.54 g/mol. Its IUPAC name is N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
PubChem CID155739554
Molecular FormulaC19H41NO5
Molecular Weight363.54 g/mol
Exact Mass363.30
IUPAC NameN-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
SMILESCC(C)CCCOCCOCCOCCNC(=O)CCCOC(C)C.[H][H]
InChIInChI=1S/C19H39NO5.H2/c1-17(2)7-5-10-22-13-15-24-16-14-23-12-9-20-19(21)8-6-11-25-18(3)4;/h17-18H,5-16H2,1-4H3,(H,20,21);1H
InChIKeyFVBNTFDJCHINMO-UHFFFAOYSA-N
XLogP3.04
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
9-hydroxy-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]nonanamide
CID 155740636
N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide
CID 134351969
ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen
CID 155740333
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038
N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen
CID 177338040
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
potassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate
CID 155739545
5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen
CID 177338046
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen?
The IUPAC name of N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen (CID 155739554) is N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen.
What is the SMILES notation for N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen?
The canonical SMILES for N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen is CC(C)CCCOCCOCCOCCNC(=O)CCCOC(C)C.[H][H].
What is the InChIKey of N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen?
The InChIKey is FVBNTFDJCHINMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO5.H2/c1-17(2)7-5-10-22-13-15-24-16-14-23-12-9-20-19(21)8-6-11-25-18(3)4;/h17-18H,5-16H2,1-4H3,(H,20,21);1H.
What are the key properties of N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen?
N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen has a molecular weight of 363.54 g/mol, XLogP of 3.04, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen is sourced from PubChem (CID 155739554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).