2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide

C19H24N2O3 — CID 119945325

IUPAC2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2ccccc2N)cc1OC
InChIInChI=1S/C19H24N2O3/c1-19(2,13-9-10-16(23-3)17(11-13)24-4)12-21-18(22)14-7-5-6-8-15(14)20/h5-11H,12,20H2,1-4H3,(H,21,22)
InChIKeyZORWWYPJHDKUDU-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.99
Rot. Bonds6

About 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide

2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide (PubChem CID 119945325) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
PubChem CID119945325
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2ccccc2N)cc1OC
InChIInChI=1S/C19H24N2O3/c1-19(2,13-9-10-16(23-3)17(11-13)24-4)12-21-18(22)14-7-5-6-8-15(14)20/h5-11H,12,20H2,1-4H3,(H,21,22)
InChIKeyZORWWYPJHDKUDU-UHFFFAOYSA-N
XLogP2.99
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 110441966
3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610551
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591873
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 110443382
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide
CID 110438508
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide
CID 110445671
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide
CID 110442244
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 119320138
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 110436445
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249207
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea
CID 113213798

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide?
The IUPAC name of 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide (CID 119945325) is 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide is COc1ccc(C(C)(C)CNC(=O)c2ccccc2N)cc1OC.
What is the InChIKey of 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide?
The InChIKey is ZORWWYPJHDKUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,13-9-10-16(23-3)17(11-13)24-4)12-21-18(22)14-7-5-6-8-15(14)20/h5-11H,12,20H2,1-4H3,(H,21,22).
What are the key properties of 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide?
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide has a molecular weight of 328.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 119945325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).