N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid

C16H24N2O6 — CID 126468859

IUPACN-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid
SMILESCC1CCCC(NCCNC(=O)c2ccco2)C1.O=C(O)C(=O)O
InChIInChI=1S/C14H22N2O2.C2H2O4/c1-11-4-2-5-12(10-11)15-7-8-16-14(17)13-6-3-9-18-13;3-1(4)2(5)6/h3,6,9,11-12,15H,2,4-5,7-8,10H2,1H3,(H,16,17);(H,3,4)(H,5,6)
InChIKeyRFZUNJQMDBFPCQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.33
Rot. Bonds5

About N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid

N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid (PubChem CID 126468859) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid
PubChem CID126468859
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC NameN-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid
SMILESCC1CCCC(NCCNC(=O)c2ccco2)C1.O=C(O)C(=O)O
InChIInChI=1S/C14H22N2O2.C2H2O4/c1-11-4-2-5-12(10-11)15-7-8-16-14(17)13-6-3-9-18-13;3-1(4)2(5)6/h3,6,9,11-12,15H,2,4-5,7-8,10H2,1H3,(H,16,17);(H,3,4)(H,5,6)
InChIKeyRFZUNJQMDBFPCQ-UHFFFAOYSA-N
XLogP1.33
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide
CID 7256034
N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156886
N-[2-[(4-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156885
N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide
CID 99625244
N-(4-methylcycloheptyl)furan-2-carboxamide
CID 102795196
N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119620715
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51552986
N-(3,5-dimethylcyclohexyl)furan-2-carboxamide
CID 64722741
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide
CID 3403393
N-cyclooctylfuran-2-carboxamide
CID 790432

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid?
The IUPAC name of N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid (CID 126468859) is N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid.
What is the SMILES notation for N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid?
The canonical SMILES for N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid is CC1CCCC(NCCNC(=O)c2ccco2)C1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid?
The InChIKey is RFZUNJQMDBFPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.C2H2O4/c1-11-4-2-5-12(10-11)15-7-8-16-14(17)13-6-3-9-18-13;3-1(4)2(5)6/h3,6,9,11-12,15H,2,4-5,7-8,10H2,1H3,(H,16,17);(H,3,4)(H,5,6).
What are the key properties of N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid?
N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid has a molecular weight of 340.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid is sourced from PubChem (CID 126468859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).