N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide

C19H23NO4 — CID 110003438

IUPACN-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
SMILESCN(CC1CCCCC1O)C(=O)c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C19H23NO4/c1-20(13-14-7-5-6-10-16(14)21)19(22)17-11-12-18(24-17)23-15-8-3-2-4-9-15/h2-4,8-9,11-12,14,16,21H,5-7,10,13H2,1H3
InChIKeyNHHBMJQUTXOMNN-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.69
Rot. Bonds5

About N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide (PubChem CID 110003438) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
PubChem CID110003438
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
SMILESCN(CC1CCCCC1O)C(=O)c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C19H23NO4/c1-20(13-14-7-5-6-10-16(14)21)19(22)17-11-12-18(24-17)23-15-8-3-2-4-9-15/h2-4,8-9,11-12,14,16,21H,5-7,10,13H2,1H3
InChIKeyNHHBMJQUTXOMNN-UHFFFAOYSA-N
XLogP3.69
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
CID 166223936
N-[(2-hydroxycyclopentyl)methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide
CID 109399958
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-4-phenoxypyridine-2-carboxamide
CID 109399798
5-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide
CID 109399945
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
CID 56741232
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide
CID 110003809
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 56891178
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-phenylbenzamide
CID 109400318
4-cyclopentyloxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 109399951
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide
CID 58866897
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110003773

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide (CID 110003438) is N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide is CN(CC1CCCCC1O)C(=O)c1ccc(Oc2ccccc2)o1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide?
The InChIKey is NHHBMJQUTXOMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-20(13-14-7-5-6-10-16(14)21)19(22)17-11-12-18(24-17)23-15-8-3-2-4-9-15/h2-4,8-9,11-12,14,16,21H,5-7,10,13H2,1H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide is sourced from PubChem (CID 110003438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).