5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide

C20H27N3O3 — CID 100641388

IUPAC5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)ccc1NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H27N3O3/c1-4-10-23-20(24)16-13-15(21)6-7-17(16)22-11-9-14-5-8-18(25-2)19(12-14)26-3/h5-8,12-13,22H,4,9-11,21H2,1-3H3,(H,23,24)
InChIKeyZYEVLTZLQGQPPL-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.08
Rot. Bonds9

About 5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide

5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide (PubChem CID 100641388) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide.

Molecular Properties

Compound Name5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide
PubChem CID100641388
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)ccc1NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H27N3O3/c1-4-10-23-20(24)16-13-15(21)6-7-17(16)22-11-9-14-5-8-18(25-2)19(12-14)26-3/h5-8,12-13,22H,4,9-11,21H2,1-3H3,(H,23,24)
InChIKeyZYEVLTZLQGQPPL-UHFFFAOYSA-N
XLogP3.08
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride
CID 120633106
5-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-2-(propylamino)benzoic acid
CID 99984969
5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
CID 100638026
ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate
CID 13206091
5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide
CID 100643509
5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
CID 61104069
[2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate
CID 61321954
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide
CID 43087369
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
5-amino-2-(4-methylanilino)-N-propylbenzamide
CID 100642805
5-amino-N-ethyl-2-(3-methoxypropylamino)benzamide
CID 100640478
2-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 110451906

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide?
The IUPAC name of 5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide (CID 100641388) is 5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide.
What is the SMILES notation for 5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide?
The canonical SMILES for 5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide is CCCNC(=O)c1cc(N)ccc1NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of 5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide?
The InChIKey is ZYEVLTZLQGQPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-10-23-20(24)16-13-15(21)6-7-17(16)22-11-9-14-5-8-18(25-2)19(12-14)26-3/h5-8,12-13,22H,4,9-11,21H2,1-3H3,(H,23,24).
What are the key properties of 5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide?
5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide has a molecular weight of 357.45 g/mol, XLogP of 3.08, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide is sourced from PubChem (CID 100641388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).