N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide

C11H17N3O3 — CID 43525988

IUPACN-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide
SMILESCc1ccc(CN(C)C(=O)C(=O)NCCN)o1
InChIInChI=1S/C11H17N3O3/c1-8-3-4-9(17-8)7-14(2)11(16)10(15)13-6-5-12/h3-4H,5-7,12H2,1-2H3,(H,13,15)
InChIKeyNLJSPPAUOWRCJE-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.38
Rot. Bonds4

About N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide

N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide (PubChem CID 43525988) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide
PubChem CID43525988
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide
SMILESCc1ccc(CN(C)C(=O)C(=O)NCCN)o1
InChIInChI=1S/C11H17N3O3/c1-8-3-4-9(17-8)7-14(2)11(16)10(15)13-6-5-12/h3-4H,5-7,12H2,1-2H3,(H,13,15)
InChIKeyNLJSPPAUOWRCJE-UHFFFAOYSA-N
XLogP-0.38
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 61208466
N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide
CID 43575591
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 63590309
4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 43519484
1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 115605710
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
CID 60723769

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide (CID 43525988) is N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide is Cc1ccc(CN(C)C(=O)C(=O)NCCN)o1.
What is the InChIKey of N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide?
The InChIKey is NLJSPPAUOWRCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-3-4-9(17-8)7-14(2)11(16)10(15)13-6-5-12/h3-4H,5-7,12H2,1-2H3,(H,13,15).
What are the key properties of N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide?
N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide has a molecular weight of 239.27 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide is sourced from PubChem (CID 43525988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).