4,5-dimethoxy-2-(2-phenylethylamino)benzamide

C17H20N2O3 — CID 141146407

IUPAC4,5-dimethoxy-2-(2-phenylethylamino)benzamide
SMILESCOc1cc(NCCc2ccccc2)c(C(N)=O)cc1OC
InChIInChI=1S/C17H20N2O3/c1-21-15-10-13(17(18)20)14(11-16(15)22-2)19-9-8-12-6-4-3-5-7-12/h3-7,10-11,19H,8-9H2,1-2H3,(H2,18,20)
InChIKeyCHAIXGSHXVEWRV-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.46
Rot. Bonds7

About 4,5-dimethoxy-2-(2-phenylethylamino)benzamide

4,5-dimethoxy-2-(2-phenylethylamino)benzamide (PubChem CID 141146407) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(2-phenylethylamino)benzamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-(2-phenylethylamino)benzamide
PubChem CID141146407
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4,5-dimethoxy-2-(2-phenylethylamino)benzamide
SMILESCOc1cc(NCCc2ccccc2)c(C(N)=O)cc1OC
InChIInChI=1S/C17H20N2O3/c1-21-15-10-13(17(18)20)14(11-16(15)22-2)19-9-8-12-6-4-3-5-7-12/h3-7,10-11,19H,8-9H2,1-2H3,(H2,18,20)
InChIKeyCHAIXGSHXVEWRV-UHFFFAOYSA-N
XLogP2.46
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
(2S)-2-amino-3-[3-methoxy-4-(2-phenylethylamino)phenyl]propanoic acid
CID 66908446
2,3-diethyl-4-(2-phenylethylamino)benzamide
CID 174426095
methyl 4-amino-3-(2-phenylethylamino)benzoate
CID 82786010
2-(2,3-dihydroxypropylamino)-4,5-dimethoxybenzamide
CID 168595303
2-methoxy-4-nitro-N-(2-phenylethyl)aniline
CID 43425454
2-N-benzyl-4,5-dimethoxybenzene-1,2-diamine
CID 13230181
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 71741197
N'-(2-carbamoylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506282
N-[4-methoxy-2-(2-phenylethylamino)phenyl]acetamide
CID 75438254
2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide
CID 106262491

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(2-phenylethylamino)benzamide?
The IUPAC name of 4,5-dimethoxy-2-(2-phenylethylamino)benzamide (CID 141146407) is 4,5-dimethoxy-2-(2-phenylethylamino)benzamide.
What is the SMILES notation for 4,5-dimethoxy-2-(2-phenylethylamino)benzamide?
The canonical SMILES for 4,5-dimethoxy-2-(2-phenylethylamino)benzamide is COc1cc(NCCc2ccccc2)c(C(N)=O)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(2-phenylethylamino)benzamide?
The InChIKey is CHAIXGSHXVEWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-15-10-13(17(18)20)14(11-16(15)22-2)19-9-8-12-6-4-3-5-7-12/h3-7,10-11,19H,8-9H2,1-2H3,(H2,18,20).
What are the key properties of 4,5-dimethoxy-2-(2-phenylethylamino)benzamide?
4,5-dimethoxy-2-(2-phenylethylamino)benzamide has a molecular weight of 300.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(2-phenylethylamino)benzamide is sourced from PubChem (CID 141146407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).