N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide

C15H24N2O4 — CID 51339268

IUPACN-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(C)COCCCNC(=O)C(C)NC(=O)c1ccco1
InChIInChI=1S/C15H24N2O4/c1-11(2)10-20-8-5-7-16-14(18)12(3)17-15(19)13-6-4-9-21-13/h4,6,9,11-12H,5,7-8,10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyBKAGTQGULLXDGV-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.58
Rot. Bonds9

About N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 51339268) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID51339268
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(C)COCCCNC(=O)C(C)NC(=O)c1ccco1
InChIInChI=1S/C15H24N2O4/c1-11(2)10-20-8-5-7-16-14(18)12(3)17-15(19)13-6-4-9-21-13/h4,6,9,11-12H,5,7-8,10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyBKAGTQGULLXDGV-UHFFFAOYSA-N
XLogP1.58
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
N-[1-oxo-1-[3-(1-phenylethoxy)propylamino]propan-2-yl]furan-2-carboxamide
CID 46536778
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119407621
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24540679
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119384373
2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide
CID 99779705
4-[2-(furan-2-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 80537997
N-[1-(3,3-diphenylpropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24665013
5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55865383
N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119620715

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 51339268) is N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide is CC(C)COCCCNC(=O)C(C)NC(=O)c1ccco1.
What is the InChIKey of N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is BKAGTQGULLXDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11(2)10-20-8-5-7-16-14(18)12(3)17-15(19)13-6-4-9-21-13/h4,6,9,11-12H,5,7-8,10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51339268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).