N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide

C17H21NO4 — CID 110443382

IUPACN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2ccco2)cc1OC
InChIInChI=1S/C17H21NO4/c1-17(2,11-18-16(19)14-6-5-9-22-14)12-7-8-13(20-3)15(10-12)21-4/h5-10H,11H2,1-4H3,(H,18,19)
InChIKeyAISWCWZNIIUDIT-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide (PubChem CID 110443382) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
PubChem CID110443382
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2ccco2)cc1OC
InChIInChI=1S/C17H21NO4/c1-17(2,11-18-16(19)14-6-5-9-22-14)12-7-8-13(20-3)15(10-12)21-4/h5-10H,11H2,1-4H3,(H,18,19)
InChIKeyAISWCWZNIIUDIT-UHFFFAOYSA-N
XLogP3.00
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 119945325
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 110436445
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide
CID 110438508
N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 110780466
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide
CID 110445671
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 111544447
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591873
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide
CID 110314871
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-N-(2-phenylethyl)hexanediamide
CID 19838169
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide
CID 110442244
1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 119320138

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide (CID 110443382) is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide is COc1ccc(C(C)(C)CNC(=O)c2ccco2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide?
The InChIKey is AISWCWZNIIUDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-17(2,11-18-16(19)14-6-5-9-22-14)12-7-8-13(20-3)15(10-12)21-4/h5-10H,11H2,1-4H3,(H,18,19).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide is sourced from PubChem (CID 110443382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).