N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide

C24H51N3O6 — CID 158348499

IUPACN-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(=O)NCCCCOC(C)C.CC(=O)NCCCOC(C)C.CC(=O)NCCOC(C)C
InChIInChI=1S/C9H19NO2.C8H17NO2.C7H15NO2/c1-8(2)12-7-5-4-6-10-9(3)11;1-7(2)11-6-4-5-9-8(3)10;1-6(2)10-5-4-8-7(3)9/h8H,4-7H2,1-3H3,(H,10,11);7H,4-6H2,1-3H3,(H,9,10);6H,4-5H2,1-3H3,(H,8,9)
InChIKeyGSAITMVTMVWPHL-UHFFFAOYSA-N
MW477.69 g/mol
LogP2.81
Rot. Bonds15

About N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide

N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 158348499) has the molecular formula C24H51N3O6 and a molecular weight of 477.69 g/mol. Its IUPAC name is N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide
PubChem CID158348499
Molecular FormulaC24H51N3O6
Molecular Weight477.69 g/mol
Exact Mass477.38
IUPAC NameN-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(=O)NCCCCOC(C)C.CC(=O)NCCCOC(C)C.CC(=O)NCCOC(C)C
InChIInChI=1S/C9H19NO2.C8H17NO2.C7H15NO2/c1-8(2)12-7-5-4-6-10-9(3)11;1-7(2)11-6-4-5-9-8(3)10;1-6(2)10-5-4-8-7(3)9/h8H,4-7H2,1-3H3,(H,10,11);7H,4-6H2,1-3H3,(H,9,10);6H,4-5H2,1-3H3,(H,8,9)
InChIKeyGSAITMVTMVWPHL-UHFFFAOYSA-N
XLogP2.81
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.69
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-propan-2-yloxyhexylcarbamic acid
CID 126658630
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
(2R)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011533
N-[5-[2-(5-acetamidopentoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 142616275
(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide
CID 92660589
2,3-dimethyl-4-oxo-4-(4-propan-2-yloxybutylamino)butanoic acid
CID 106003621
N-(4-propan-2-yloxybutyl)prop-2-enamide
CID 59532945
2-hydroxy-N-(8-propan-2-yloxyoctyl)acetamide;vanadium
CID 154671854
(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 79012909
propyl N-(4-propan-2-yloxybutyl)carbamate
CID 149467433
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
1-[(E)-2,3-dimethylbut-1-enyl]-3-(3-propan-2-yloxypropyl)urea
CID 108914733

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide (CID 158348499) is N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide is CC(=O)NCCCCOC(C)C.CC(=O)NCCCOC(C)C.CC(=O)NCCOC(C)C.
What is the InChIKey of N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is GSAITMVTMVWPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C8H17NO2.C7H15NO2/c1-8(2)12-7-5-4-6-10-9(3)11;1-7(2)11-6-4-5-9-8(3)10;1-6(2)10-5-4-8-7(3)9/h8H,4-7H2,1-3H3,(H,10,11);7H,4-6H2,1-3H3,(H,9,10);6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide?
N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 477.69 g/mol, XLogP of 2.81, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 158348499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).