N-(3-methoxypropyl)-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide

C17H28N2O4 — CID 3667145

IUPACN-(3-methoxypropyl)-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide
SMILESCOCCCN(CCC(=O)NCCC(C)C)C(=O)c1ccoc1
InChIInChI=1S/C17H28N2O4/c1-14(2)5-8-18-16(20)6-10-19(9-4-11-22-3)17(21)15-7-12-23-13-15/h7,12-14H,4-6,8-11H2,1-3H3,(H,18,20)
InChIKeyCZBYYPZYXSQRAQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.31
Rot. Bonds11

About N-(3-methoxypropyl)-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide

N-(3-methoxypropyl)-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide (PubChem CID 3667145) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide
PubChem CID3667145
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC NameN-(3-methoxypropyl)-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide
SMILESCOCCCN(CCC(=O)NCCC(C)C)C(=O)c1ccoc1
InChIInChI=1S/C17H28N2O4/c1-14(2)5-8-18-16(20)6-10-19(9-4-11-22-3)17(21)15-7-12-23-13-15/h7,12-14H,4-6,8-11H2,1-3H3,(H,18,20)
InChIKeyCZBYYPZYXSQRAQ-UHFFFAOYSA-N
XLogP2.31
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide (CID 3667145) is N-(3-methoxypropyl)-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide is COCCCN(CCC(=O)NCCC(C)C)C(=O)c1ccoc1.
What is the InChIKey of N-(3-methoxypropyl)-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide?
The InChIKey is CZBYYPZYXSQRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-14(2)5-8-18-16(20)6-10-19(9-4-11-22-3)17(21)15-7-12-23-13-15/h7,12-14H,4-6,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-(3-methoxypropyl)-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide?
N-(3-methoxypropyl)-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 2.31, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 3667145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).