N-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide

C16H31NO6 — CID 171814358

IUPACN-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide
SMILESCCCOCCOCCOCCOCCN(C=O)C(=O)CCC
InChIInChI=1S/C16H31NO6/c1-3-5-16(19)17(15-18)6-8-21-10-12-23-14-13-22-11-9-20-7-4-2/h15H,3-14H2,1-2H3
InChIKeyWXBQEVZYWYRXQZ-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.25
Rot. Bonds17

About N-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide

N-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide (PubChem CID 171814358) has the molecular formula C16H31NO6 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound NameN-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide
PubChem CID171814358
Molecular FormulaC16H31NO6
Molecular Weight333.43 g/mol
Exact Mass333.22
IUPAC NameN-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide
SMILESCCCOCCOCCOCCOCCN(C=O)C(=O)CCC
InChIInChI=1S/C16H31NO6/c1-3-5-16(19)17(15-18)6-8-21-10-12-23-14-13-22-11-9-20-7-4-2/h15H,3-14H2,1-2H3
InChIKeyWXBQEVZYWYRXQZ-UHFFFAOYSA-N
XLogP1.25
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-formyl-N-methoxybutanamide
CID 89360816
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319
N-ethyl-N-methyl-3-propoxypropanamide
CID 87235290
4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 130469145
2-propoxyethyl 3-(diethylamino)propanoate
CID 58184879
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 118348553
ethane-1,2-diol;formic acid;1-propoxypropane
CID 87831538
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
(Z)-4-oxo-6-propoxyhex-2-enoic acid
CID 134452151
[butanoyl(formyl)amino] hydrogen carbonate
CID 123497102
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
3-[tert-butyl(2-propoxyethyl)amino]propanoic acid
CID 106454620

Frequently Asked Questions

What is the IUPAC name of N-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide?
The IUPAC name of N-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide (CID 171814358) is N-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for N-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for N-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide is CCCOCCOCCOCCOCCN(C=O)C(=O)CCC.
What is the InChIKey of N-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide?
The InChIKey is WXBQEVZYWYRXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO6/c1-3-5-16(19)17(15-18)6-8-21-10-12-23-14-13-22-11-9-20-7-4-2/h15H,3-14H2,1-2H3.
What are the key properties of N-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide?
N-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 333.43 g/mol, XLogP of 1.25, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 171814358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).