N-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride

C28H49ClN2O2 — CID 18985083

IUPACN-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(C)c(N(C)C)c(C)c2c1OC(C)(C)C2.Cl
InChIInChI=1S/C28H48N2O2.ClH/c1-10-11-12-13-14-15-16-17-18-27(4,5)26(31)29-23-21(3)24(30(8)9)20(2)22-19-28(6,7)32-25(22)23;/h10-19H2,1-9H3,(H,29,31);1H
InChIKeyJGHDLBUQLWDNQP-UHFFFAOYSA-N
MW481.17 g/mol
LogP8.00
Rot. Bonds12

About N-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride

N-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride (PubChem CID 18985083) has the molecular formula C28H49ClN2O2 and a molecular weight of 481.17 g/mol. Its IUPAC name is N-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride
PubChem CID18985083
Molecular FormulaC28H49ClN2O2
Molecular Weight481.17 g/mol
Exact Mass480.35
IUPAC NameN-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(C)c(N(C)C)c(C)c2c1OC(C)(C)C2.Cl
InChIInChI=1S/C28H48N2O2.ClH/c1-10-11-12-13-14-15-16-17-18-27(4,5)26(31)29-23-21(3)24(30(8)9)20(2)22-19-28(6,7)32-25(22)23;/h10-19H2,1-9H3,(H,29,31);1H
InChIKeyJGHDLBUQLWDNQP-UHFFFAOYSA-N
XLogP8.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.17
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-6-phenyl-N-(2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)hexanamide
CID 10620606
2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
CID 14276081
N-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide
CID 10367852
N-hydroxy-2,2-dimethylheptadecanamide
CID 138558717
N,2,2-trimethyloctadecanamide
CID 158817445
N-(1-acetyl-6,7-dimethyl-2-oxo-3,4-dihydroquinolin-5-yl)-2,2-dimethyldodecanamide
CID 139646790
2,2-dimethyl-N-oxidodecanamide
CID 141061443
N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide
CID 153288461
N-ethyl-2,2-dimethylheptanamide
CID 168939290
2,2-dimethyloctanethioate
CID 18983936
2,2-dimethyldodecanoyl chloride
CID 15656432
2,2-dimethyl-N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)undecanamide
CID 11660072

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride?
The IUPAC name of N-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride (CID 18985083) is N-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride.
What is the SMILES notation for N-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride?
The canonical SMILES for N-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride is CCCCCCCCCCC(C)(C)C(=O)Nc1c(C)c(N(C)C)c(C)c2c1OC(C)(C)C2.Cl.
What is the InChIKey of N-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride?
The InChIKey is JGHDLBUQLWDNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N2O2.ClH/c1-10-11-12-13-14-15-16-17-18-27(4,5)26(31)29-23-21(3)24(30(8)9)20(2)22-19-28(6,7)32-25(22)23;/h10-19H2,1-9H3,(H,29,31);1H.
What are the key properties of N-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride?
N-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride has a molecular weight of 481.17 g/mol, XLogP of 8.00, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride is sourced from PubChem (CID 18985083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).