N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride

C12H21ClN2O2 — CID 119586435

IUPACN-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride
SMILESCc1occc1C(=O)NC(CN)CC(C)C.Cl
InChIInChI=1S/C12H20N2O2.ClH/c1-8(2)6-10(7-13)14-12(15)11-4-5-16-9(11)3;/h4-5,8,10H,6-7,13H2,1-3H3,(H,14,15);1H
InChIKeyAULWVLINTWCPSS-UHFFFAOYSA-N
MW260.76 g/mol
LogP2.11
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride (PubChem CID 119586435) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride
PubChem CID119586435
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride
SMILESCc1occc1C(=O)NC(CN)CC(C)C.Cl
InChIInChI=1S/C12H20N2O2.ClH/c1-8(2)6-10(7-13)14-12(15)11-4-5-16-9(11)3;/h4-5,8,10H,6-7,13H2,1-3H3,(H,14,15);1H
InChIKeyAULWVLINTWCPSS-UHFFFAOYSA-N
XLogP2.11
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride
CID 119587685
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide
CID 106152130
N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 119587854
2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723
N-(1-amino-4-methylpentan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
CID 119587345
N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
CID 119587581
2-methyl-N-(2-methylpropoxy)furan-3-carboxamide
CID 115409998
N-(1-amino-4-methylpentan-2-yl)thiophene-3-carboxamide;hydrochloride
CID 119588578
5-methyl-3-[[(2-methylfuran-3-carbonyl)amino]methyl]hexanoic acid
CID 65494748
N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide
CID 2970515

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride (CID 119586435) is N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride is Cc1occc1C(=O)NC(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride?
The InChIKey is AULWVLINTWCPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.ClH/c1-8(2)6-10(7-13)14-12(15)11-4-5-16-9(11)3;/h4-5,8,10H,6-7,13H2,1-3H3,(H,14,15);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride has a molecular weight of 260.76 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride is sourced from PubChem (CID 119586435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).