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

C11H17N3O3 — CID 119407621

IUPACN-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NCCCN
InChIInChI=1S/C11H17N3O3/c1-8(10(15)13-6-3-5-12)14-11(16)9-4-2-7-17-9/h2,4,7-8H,3,5-6,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyOJMLHDKXMVUACO-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.14
Rot. Bonds6

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

N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 119407621) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID119407621
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NCCCN
InChIInChI=1S/C11H17N3O3/c1-8(10(15)13-6-3-5-12)14-11(16)9-4-2-7-17-9/h2,4,7-8H,3,5-6,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyOJMLHDKXMVUACO-UHFFFAOYSA-N
XLogP-0.14
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
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-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119384373
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51339268
4-[2-(furan-2-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 80537997
N-[1-oxo-1-[3-(1-phenylethoxy)propylamino]propan-2-yl]furan-2-carboxamide
CID 46536778
N-[1-(3,3-diphenylpropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24665013
N-[(2R)-1-[3-(2-fluoro-N-methylanilino)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94796085
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119587670
N-[(2R)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]furan-2-carboxamide
CID 2468415

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide (CID 119407621) is N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)NCCCN.
What is the InChIKey of N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is OJMLHDKXMVUACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(10(15)13-6-3-5-12)14-11(16)9-4-2-7-17-9/h2,4,7-8H,3,5-6,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 119407621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).