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

C10H15N3O3 — CID 119384374

IUPACN-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NCCN
InChIInChI=1S/C10H15N3O3/c1-7(9(14)12-5-4-11)13-10(15)8-3-2-6-16-8/h2-3,6-7H,4-5,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyKXOVKLHACCLVNK-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.53
Rot. Bonds5

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

N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 119384374) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID119384374
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NCCN
InChIInChI=1S/C10H15N3O3/c1-7(9(14)12-5-4-11)13-10(15)8-3-2-6-16-8/h2-3,6-7H,4-5,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyKXOVKLHACCLVNK-UHFFFAOYSA-N
XLogP-0.53
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119384373
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119407621
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
4-[2-(furan-2-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 80537997
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
N-[1-(3,3-diphenylpropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24665013
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
N-[1-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 119526649
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119528888
N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51339268
N-[(2R)-1-[3-(2-fluoro-N-methylanilino)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94796085

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide (CID 119384374) is N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)NCCN.
What is the InChIKey of N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is KXOVKLHACCLVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(9(14)12-5-4-11)13-10(15)8-3-2-6-16-8/h2-3,6-7H,4-5,11H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 119384374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).