N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride

C16H23ClN2O2 — CID 119656949

IUPACN-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)N(C)CC(C)(C)CN)oc2ccccc12.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-11-12-7-5-6-8-13(12)20-14(11)15(19)18(4)10-16(2,3)9-17;/h5-8H,9-10,17H2,1-4H3;1H
InChIKeyZQRDDPVNTRWXBB-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.22
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119656949) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119656949
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)N(C)CC(C)(C)CN)oc2ccccc12.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-11-12-7-5-6-8-13(12)20-14(11)15(19)18(4)10-16(2,3)9-17;/h5-8H,9-10,17H2,1-4H3;1H
InChIKeyZQRDDPVNTRWXBB-UHFFFAOYSA-N
XLogP3.22
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 119654016
N-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
CID 56531109
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide
CID 119653495
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
CID 119654931
N-(3-amino-2,2-dimethylpropyl)-N,2,3-trimethylbenzamide
CID 79652302
N-(3-amino-2,2-dimethylpropyl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
CID 81484590
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 119654932
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
3-methyl-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid
CID 174597785
N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide
CID 79652685
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119654838

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride (CID 119656949) is N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride is Cc1c(C(=O)N(C)CC(C)(C)CN)oc2ccccc12.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is ZQRDDPVNTRWXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-11-12-7-5-6-8-13(12)20-14(11)15(19)18(4)10-16(2,3)9-17;/h5-8H,9-10,17H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119656949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).