N-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide

C18H30N2O7 — CID 59993756

IUPACN-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide
SMILESCOC(CNC(=O)CCCOCCOCCCCN1C(=O)C=CC1=O)OC
InChIInChI=1S/C18H30N2O7/c1-24-18(25-2)14-19-15(21)6-5-11-27-13-12-26-10-4-3-9-20-16(22)7-8-17(20)23/h7-8,18H,3-6,9-14H2,1-2H3,(H,19,21)
InChIKeyLITVAKJNFXXWSZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP0.24
Rot. Bonds16

About N-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide

N-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide (PubChem CID 59993756) has the molecular formula C18H30N2O7 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide
PubChem CID59993756
Molecular FormulaC18H30N2O7
Molecular Weight386.45 g/mol
Exact Mass386.21
IUPAC NameN-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide
SMILESCOC(CNC(=O)CCCOCCOCCCCN1C(=O)C=CC1=O)OC
InChIInChI=1S/C18H30N2O7/c1-24-18(25-2)14-19-15(21)6-5-11-27-13-12-26-10-4-3-9-20-16(22)7-8-17(20)23/h7-8,18H,3-6,9-14H2,1-2H3,(H,19,21)
InChIKeyLITVAKJNFXXWSZ-UHFFFAOYSA-N
XLogP0.24
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 166090102
3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide;methane
CID 172871711
6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 171850558
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049
3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propyl]propanamide
CID 170280660
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propanamide
CID 71242767
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 158577719
3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-ethylpropanamide
CID 144940675
3-[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]propoxy]propanoic acid
CID 168749936
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
CID 145076729
6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide
CID 11376281

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide (CID 59993756) is N-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide is COC(CNC(=O)CCCOCCOCCCCN1C(=O)C=CC1=O)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide?
The InChIKey is LITVAKJNFXXWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O7/c1-24-18(25-2)14-19-15(21)6-5-11-27-13-12-26-10-4-3-9-20-16(22)7-8-17(20)23/h7-8,18H,3-6,9-14H2,1-2H3,(H,19,21).
What are the key properties of N-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide?
N-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide has a molecular weight of 386.45 g/mol, XLogP of 0.24, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide is sourced from PubChem (CID 59993756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).