N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride

C20H28ClN3O3 — CID 119657284

IUPACN-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)CCC(N)C(C)C)cc1NC(=O)c1ccco1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-13(2)16(21)9-10-23(4)20(25)15-8-7-14(3)17(12-15)22-19(24)18-6-5-11-26-18;/h5-8,11-13,16H,9-10,21H2,1-4H3,(H,22,24);1H
InChIKeyYNVRJJHLYAGNOT-UHFFFAOYSA-N
MW393.92 g/mol
LogP3.71
Rot. Bonds7

About N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride

N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride (PubChem CID 119657284) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride
PubChem CID119657284
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC NameN-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)CCC(N)C(C)C)cc1NC(=O)c1ccco1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-13(2)16(21)9-10-23(4)20(25)15-8-7-14(3)17(12-15)22-19(24)18-6-5-11-26-18;/h5-8,11-13,16H,9-10,21H2,1-4H3,(H,22,24);1H
InChIKeyYNVRJJHLYAGNOT-UHFFFAOYSA-N
XLogP3.71
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 112794246
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 119659045
N-[5-[(3-chlorophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 27795274
N-[5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 9437515
N-[5-[methoxy(methyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148992
N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 31215370
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119660831
1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539605
(2-oxo-2-propan-2-yloxyethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 24557608
N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
CID 38685034
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride (CID 119657284) is N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride is Cc1ccc(C(=O)N(C)CCC(N)C(C)C)cc1NC(=O)c1ccco1.Cl.
What is the InChIKey of N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is YNVRJJHLYAGNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.ClH/c1-13(2)16(21)9-10-23(4)20(25)15-8-7-14(3)17(12-15)22-19(24)18-6-5-11-26-18;/h5-8,11-13,16H,9-10,21H2,1-4H3,(H,22,24);1H.
What are the key properties of N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride?
N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119657284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).