N-(3,3-didecoxypropyl)formamide

C24H49NO3 — CID 57283019

IUPACN-(3,3-didecoxypropyl)formamide
SMILESCCCCCCCCCCOC(CCNC=O)OCCCCCCCCCC
InChIInChI=1S/C24H49NO3/c1-3-5-7-9-11-13-15-17-21-27-24(19-20-25-23-26)28-22-18-16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3,(H,25,26)
InChIKeyLULLVKAGUCVTQD-UHFFFAOYSA-N
MW399.66 g/mol
LogP6.76
Rot. Bonds24

About N-(3,3-didecoxypropyl)formamide

N-(3,3-didecoxypropyl)formamide (PubChem CID 57283019) has the molecular formula C24H49NO3 and a molecular weight of 399.66 g/mol. Its IUPAC name is N-(3,3-didecoxypropyl)formamide.

Molecular Properties

Compound NameN-(3,3-didecoxypropyl)formamide
PubChem CID57283019
Molecular FormulaC24H49NO3
Molecular Weight399.66 g/mol
Exact Mass399.37
IUPAC NameN-(3,3-didecoxypropyl)formamide
SMILESCCCCCCCCCCOC(CCNC=O)OCCCCCCCCCC
InChIInChI=1S/C24H49NO3/c1-3-5-7-9-11-13-15-17-21-27-24(19-20-25-23-26)28-22-18-16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3,(H,25,26)
InChIKeyLULLVKAGUCVTQD-UHFFFAOYSA-N
XLogP6.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.66
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-tetracosylformamide
CID 54077607
N-pentacosylformamide
CID 88723962
6,6-dioctoxyhexanal
CID 155246077
N-(5-heptyltridecyl)formamide
CID 166649045
ethane;N-pentylformamide
CID 145350301
N-(4-butyldecyl)formamide
CID 166649158
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
1,1-dibutoxyoctane
CID 54557001
N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide
CID 156795114
N-(3,3-diethoxypropyl)decan-1-amine
CID 81093302
1-(4-methyl-1-nonoxypentoxy)nonane
CID 168756191
1-pentoxypentyl formate
CID 21266274

Frequently Asked Questions

What is the IUPAC name of N-(3,3-didecoxypropyl)formamide?
The IUPAC name of N-(3,3-didecoxypropyl)formamide (CID 57283019) is N-(3,3-didecoxypropyl)formamide.
What is the SMILES notation for N-(3,3-didecoxypropyl)formamide?
The canonical SMILES for N-(3,3-didecoxypropyl)formamide is CCCCCCCCCCOC(CCNC=O)OCCCCCCCCCC.
What is the InChIKey of N-(3,3-didecoxypropyl)formamide?
The InChIKey is LULLVKAGUCVTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO3/c1-3-5-7-9-11-13-15-17-21-27-24(19-20-25-23-26)28-22-18-16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3,(H,25,26).
What are the key properties of N-(3,3-didecoxypropyl)formamide?
N-(3,3-didecoxypropyl)formamide has a molecular weight of 399.66 g/mol, XLogP of 6.76, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-didecoxypropyl)formamide is sourced from PubChem (CID 57283019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).