N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

C14H20N2O4 — CID 104957500

IUPACN-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)N[C@H]1CCCC[C@@H]1O)C(=O)c1ccco1
InChIInChI=1S/C14H20N2O4/c1-16(14(19)12-7-4-8-20-12)9-13(18)15-10-5-2-3-6-11(10)17/h4,7-8,10-11,17H,2-3,5-6,9H2,1H3,(H,15,18)/t10-,11-/m0/s1
InChIKeyGWNGIMWPGIXUKO-QWRGUYRKSA-N
MW280.32 g/mol
LogP0.77
Rot. Bonds4

About N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 104957500) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID104957500
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)N[C@H]1CCCC[C@@H]1O)C(=O)c1ccco1
InChIInChI=1S/C14H20N2O4/c1-16(14(19)12-7-4-8-20-12)9-13(18)15-10-5-2-3-6-11(10)17/h4,7-8,10-11,17H,2-3,5-6,9H2,1H3,(H,15,18)/t10-,11-/m0/s1
InChIKeyGWNGIMWPGIXUKO-QWRGUYRKSA-N
XLogP0.77
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid
CID 66223325
N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 27126578
benzyl N-[2-[[(1R)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylcarbamate
CID 170615975
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
2-(dimethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104969353
N-[2-(ethoxyamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47149757
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9404333
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 60715665
N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide
CID 113236489

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 104957500) is N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is CN(CC(=O)N[C@H]1CCCC[C@@H]1O)C(=O)c1ccco1.
What is the InChIKey of N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is GWNGIMWPGIXUKO-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-16(14(19)12-7-4-8-20-12)9-13(18)15-10-5-2-3-6-11(10)17/h4,7-8,10-11,17H,2-3,5-6,9H2,1H3,(H,15,18)/t10-,11-/m0/s1.
What are the key properties of N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 104957500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).