N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide

C14H22N2O2 — CID 79115766

IUPACN-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide
SMILESCCN(C(=O)c1ccoc1C)C1CCC(N)CC1
InChIInChI=1S/C14H22N2O2/c1-3-16(12-6-4-11(15)5-7-12)14(17)13-8-9-18-10(13)2/h8-9,11-12H,3-7,15H2,1-2H3
InChIKeyQZVFJOKRCSKBQB-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.32
Rot. Bonds3

About N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide

N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide (PubChem CID 79115766) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide
PubChem CID79115766
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide
SMILESCCN(C(=O)c1ccoc1C)C1CCC(N)CC1
InChIInChI=1S/C14H22N2O2/c1-3-16(12-6-4-11(15)5-7-12)14(17)13-8-9-18-10(13)2/h8-9,11-12H,3-7,15H2,1-2H3
InChIKeyQZVFJOKRCSKBQB-UHFFFAOYSA-N
XLogP2.32
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate
CID 54983961
N-(4-aminocyclohexyl)-N-ethyl-4-hydroxy-2-methylbenzamide
CID 107672163
N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 55187971
2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 154740702
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 77044866
N-(4-aminocyclohexyl)-N-ethylbenzamide
CID 79116189
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methylfuran-3-carboxamide
CID 78811219
N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 79720319
N-(4-aminocyclohexyl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide
CID 79116433
N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
CID 7301981
N-(4-aminocyclohexyl)-N-ethylpyridine-4-carboxamide
CID 79115334
N-(4-aminocyclohexyl)-5-chloro-N-ethylfuran-2-carboxamide
CID 79116022

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide (CID 79115766) is N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide is CCN(C(=O)c1ccoc1C)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide?
The InChIKey is QZVFJOKRCSKBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-16(12-6-4-11(15)5-7-12)14(17)13-8-9-18-10(13)2/h8-9,11-12H,3-7,15H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide?
N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide is sourced from PubChem (CID 79115766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).