N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide

C19H37NO6 — CID 158125954

IUPACN-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
SMILESCCCC(=O)NCCOCCOCCOCCOCCC(=O)C(C)(C)C
InChIInChI=1S/C19H37NO6/c1-5-6-18(22)20-8-10-24-12-14-26-16-15-25-13-11-23-9-7-17(21)19(2,3)4/h5-16H2,1-4H3,(H,20,22)
InChIKeyFSEDRCOEZPEMLT-UHFFFAOYSA-N
MW375.51 g/mol
LogP1.97
Rot. Bonds17

About N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide

N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide (PubChem CID 158125954) has the molecular formula C19H37NO6 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
PubChem CID158125954
Molecular FormulaC19H37NO6
Molecular Weight375.51 g/mol
Exact Mass375.26
IUPAC NameN-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
SMILESCCCC(=O)NCCOCCOCCOCCOCCC(=O)C(C)(C)C
InChIInChI=1S/C19H37NO6/c1-5-6-18(22)20-8-10-24-12-14-26-16-15-25-13-11-23-9-7-17(21)19(2,3)4/h5-16H2,1-4H3,(H,20,22)
InChIKeyFSEDRCOEZPEMLT-UHFFFAOYSA-N
XLogP1.97
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 168855315
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 175775195
4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one
CID 160706434
2-[[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]amino]-N-methylacetamide
CID 134452676
N-[2-[2-[2-[2-[3-[[2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 170214750
5,5-dimethyl-4-oxo-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]hexanamide
CID 139469641
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
CID 168852472
1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 59078266
1-(2-butoxyethoxy)-4,4-dimethylpentan-3-one
CID 88916536
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide
CID 171786557

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The IUPAC name of N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide (CID 158125954) is N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide is CCCC(=O)NCCOCCOCCOCCOCCC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The InChIKey is FSEDRCOEZPEMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO6/c1-5-6-18(22)20-8-10-24-12-14-26-16-15-25-13-11-23-9-7-17(21)19(2,3)4/h5-16H2,1-4H3,(H,20,22).
What are the key properties of N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide?
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 375.51 g/mol, XLogP of 1.97, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 158125954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).