N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide

C17H28N2O3 — CID 4191902

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide
SMILESCCCCCN(CCC(=O)NC(C)CC)C(=O)c1ccoc1
InChIInChI=1S/C17H28N2O3/c1-4-6-7-10-19(17(21)15-9-12-22-13-15)11-8-16(20)18-14(3)5-2/h9,12-14H,4-8,10-11H2,1-3H3,(H,18,20)
InChIKeyDONQQHGMHAYQDT-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.22
Rot. Bonds10

About N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide (PubChem CID 4191902) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide
PubChem CID4191902
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide
SMILESCCCCCN(CCC(=O)NC(C)CC)C(=O)c1ccoc1
InChIInChI=1S/C17H28N2O3/c1-4-6-7-10-19(17(21)15-9-12-22-13-15)11-8-16(20)18-14(3)5-2/h9,12-14H,4-8,10-11H2,1-3H3,(H,18,20)
InChIKeyDONQQHGMHAYQDT-UHFFFAOYSA-N
XLogP3.22
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide (CID 4191902) is N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide is CCCCCN(CCC(=O)NC(C)CC)C(=O)c1ccoc1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide?
The InChIKey is DONQQHGMHAYQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-4-6-7-10-19(17(21)15-9-12-22-13-15)11-8-16(20)18-14(3)5-2/h9,12-14H,4-8,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide is sourced from PubChem (CID 4191902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).