N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride

C18H24ClN3O3 — CID 120653478

IUPACN-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccccc1N(C)C(=O)c1ccco1.Cl
InChIInChI=1S/C18H23N3O3.ClH/c1-4-19-13(2)12-20-17(22)14-8-5-6-9-15(14)21(3)18(23)16-10-7-11-24-16;/h5-11,13,19H,4,12H2,1-3H3,(H,20,22);1H/t13-;/m1./s1
InChIKeyWRXYIYXFRYJFGN-BTQNPOSSSA-N
MW365.86 g/mol
LogP2.71
Rot. Bonds7

About N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride

N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride (PubChem CID 120653478) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
PubChem CID120653478
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC NameN-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccccc1N(C)C(=O)c1ccco1.Cl
InChIInChI=1S/C18H23N3O3.ClH/c1-4-19-13(2)12-20-17(22)14-8-5-6-9-15(14)21(3)18(23)16-10-7-11-24-16;/h5-11,13,19H,4,12H2,1-3H3,(H,20,22);1H/t13-;/m1./s1
InChIKeyWRXYIYXFRYJFGN-BTQNPOSSSA-N
XLogP2.71
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 119643351
N-[2-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 56783808
3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119250065
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 120947205
N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119591706
2-acetyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652333
2-benzyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120650587
5-bromo-N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55981246
N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride
CID 119428571
N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide
CID 120650563
2-benzoyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654591
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride (CID 120653478) is N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)c1ccccc1N(C)C(=O)c1ccco1.Cl.
What is the InChIKey of N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is WRXYIYXFRYJFGN-BTQNPOSSSA-N. The full InChI is InChI=1S/C18H23N3O3.ClH/c1-4-19-13(2)12-20-17(22)14-8-5-6-9-15(14)21(3)18(23)16-10-7-11-24-16;/h5-11,13,19H,4,12H2,1-3H3,(H,20,22);1H/t13-;/m1./s1.
What are the key properties of N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride?
N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 365.86 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120653478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).