N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride

C17H23ClN2O2 — CID 120886169

IUPACN-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N(CCN)CCc2ccccc2)c(C)o1.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-13-12-16(14(2)21-13)17(20)19(11-9-18)10-8-15-6-4-3-5-7-15;/h3-7,12H,8-11,18H2,1-2H3;1H
InChIKeyWJYIRYZBUJTCFS-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.96
Rot. Bonds6

About N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride

N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride (PubChem CID 120886169) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
PubChem CID120886169
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N(CCN)CCc2ccccc2)c(C)o1.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-13-12-16(14(2)21-13)17(20)19(11-9-18)10-8-15-6-4-3-5-7-15;/h3-7,12H,8-11,18H2,1-2H3;1H
InChIKeyWJYIRYZBUJTCFS-UHFFFAOYSA-N
XLogP2.96
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
CID 107366158
N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
CID 120884508
N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884347
N-(2-aminoethyl)-2-methyl-5-methylsulfonyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884373
N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride
CID 120885291
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120885313
N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886367
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 42779701
2,5-dimethyl-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]-N-propylfuran-3-carboxamide
CID 42779721
N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide
CID 120886368

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride (CID 120886169) is N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride is Cc1cc(C(=O)N(CCN)CCc2ccccc2)c(C)o1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride?
The InChIKey is WJYIRYZBUJTCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.ClH/c1-13-12-16(14(2)21-13)17(20)19(11-9-18)10-8-15-6-4-3-5-7-15;/h3-7,12H,8-11,18H2,1-2H3;1H.
What are the key properties of N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride is sourced from PubChem (CID 120886169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).