N-(3-butoxy-3-methylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide

C16H26N2O4 — CID 123575772

IUPACN-(3-butoxy-3-methylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCCCCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C16H26N2O4/c1-4-5-12-22-16(2,3)9-10-17-13(19)8-11-18-14(20)6-7-15(18)21/h6-7H,4-5,8-12H2,1-3H3,(H,17,19)
InChIKeyFMUYIHCTQIIZSL-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.40
Rot. Bonds10

About N-(3-butoxy-3-methylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide

N-(3-butoxy-3-methylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 123575772) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is N-(3-butoxy-3-methylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-butoxy-3-methylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID123575772
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-(3-butoxy-3-methylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCCCCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C16H26N2O4/c1-4-5-12-22-16(2,3)9-10-17-13(19)8-11-18-14(20)6-7-15(18)21/h6-7H,4-5,8-12H2,1-3H3,(H,17,19)
InChIKeyFMUYIHCTQIIZSL-UHFFFAOYSA-N
XLogP1.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-butoxy-3-methylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-(3-butoxy-3-methylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 123575772) is N-(3-butoxy-3-methylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-(3-butoxy-3-methylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-(3-butoxy-3-methylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide is CCCCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-(3-butoxy-3-methylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is FMUYIHCTQIIZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-4-5-12-22-16(2,3)9-10-17-13(19)8-11-18-14(20)6-7-15(18)21/h6-7H,4-5,8-12H2,1-3H3,(H,17,19).
What are the key properties of N-(3-butoxy-3-methylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-(3-butoxy-3-methylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 310.39 g/mol, XLogP of 1.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxy-3-methylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 123575772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).