N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride

C17H21ClN2O3 — CID 119476761

IUPACN-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2ccc(Oc3ccccc3)o2)CC1
InChIInChI=1S/C17H20N2O3.ClH/c18-12-6-8-13(9-7-12)19-17(20)15-10-11-16(22-15)21-14-4-2-1-3-5-14;/h1-5,10-13H,6-9,18H2,(H,19,20);1H
InChIKeyCVDCWBOMVAUFJO-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.49
Rot. Bonds4

About N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride (PubChem CID 119476761) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride
PubChem CID119476761
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC NameN-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2ccc(Oc3ccccc3)o2)CC1
InChIInChI=1S/C17H20N2O3.ClH/c18-12-6-8-13(9-7-12)19-17(20)15-10-11-16(22-15)21-14-4-2-1-3-5-14;/h1-5,10-13H,6-9,18H2,(H,19,20);1H
InChIKeyCVDCWBOMVAUFJO-UHFFFAOYSA-N
XLogP3.49
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-(3-fluorophenoxy)furan-2-carboxamide
CID 91938819
N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
CID 119474938
[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119561915
N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42383193
N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenoxyfuran-2-carboxamide
CID 91775069
N-butyl-5-phenoxyfuran-2-carboxamide
CID 127265058
N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide
CID 119431846
N-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide
CID 141280523
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119474993
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-phenoxyfuran-2-carboxamide
CID 70658082
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119650374

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride (CID 119476761) is N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)c2ccc(Oc3ccccc3)o2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride?
The InChIKey is CVDCWBOMVAUFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3.ClH/c18-12-6-8-13(9-7-12)19-17(20)15-10-11-16(22-15)21-14-4-2-1-3-5-14;/h1-5,10-13H,6-9,18H2,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119476761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).