N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride

C16H21ClN2O2 — CID 120885291

IUPACN-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride
SMILESCc1ccoc1C(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-13-8-12-20-15(13)16(19)18(11-9-17)10-7-14-5-3-2-4-6-14;/h2-6,8,12H,7,9-11,17H2,1H3;1H
InChIKeyOVFYREAPUHRORY-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.65
Rot. Bonds6

About N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride

N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride (PubChem CID 120885291) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride
PubChem CID120885291
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride
SMILESCc1ccoc1C(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-13-8-12-20-15(13)16(19)18(11-9-17)10-7-14-5-3-2-4-6-14;/h2-6,8,12H,7,9-11,17H2,1H3;1H
InChIKeyOVFYREAPUHRORY-UHFFFAOYSA-N
XLogP2.65
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
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)-N-(2-phenylethyl)propanamide
CID 120884412
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120884574
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884701
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride (CID 120885291) is N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride is Cc1ccoc1C(=O)N(CCN)CCc1ccccc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride?
The InChIKey is OVFYREAPUHRORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.ClH/c1-13-8-12-20-15(13)16(19)18(11-9-17)10-7-14-5-3-2-4-6-14;/h2-6,8,12H,7,9-11,17H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride?
N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 120885291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).