N-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride

C20H26ClN3O5 — CID 120604529

IUPACN-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride
SMILESCOc1cc(CC(=O)Nc2ccccc2C(=O)NCCN)cc(OC)c1OC.Cl
InChIInChI=1S/C20H25N3O5.ClH/c1-26-16-10-13(11-17(27-2)19(16)28-3)12-18(24)23-15-7-5-4-6-14(15)20(25)22-9-8-21;/h4-7,10-11H,8-9,12,21H2,1-3H3,(H,22,25)(H,23,24);1H
InChIKeyPJCWULDUZMZBIL-UHFFFAOYSA-N
MW423.90 g/mol
LogP2.00
Rot. Bonds9

About N-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride

N-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride (PubChem CID 120604529) has the molecular formula C20H26ClN3O5 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride
PubChem CID120604529
Molecular FormulaC20H26ClN3O5
Molecular Weight423.90 g/mol
Exact Mass423.16
IUPAC NameN-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride
SMILESCOc1cc(CC(=O)Nc2ccccc2C(=O)NCCN)cc(OC)c1OC.Cl
InChIInChI=1S/C20H25N3O5.ClH/c1-26-16-10-13(11-17(27-2)19(16)28-3)12-18(24)23-15-7-5-4-6-14(15)20(25)22-9-8-21;/h4-7,10-11H,8-9,12,21H2,1-3H3,(H,22,25)(H,23,24);1H
InChIKeyPJCWULDUZMZBIL-UHFFFAOYSA-N
XLogP2.00
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide
CID 7944484
N-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2599423
N-(2-aminoethyl)-2-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120603923
N-(2,3-difluorophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60596443
2-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119218478
N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4094581
N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride
CID 120604073
N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride
CID 120604324
N-[2-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 30875501
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 17311661
N-(2-aminoethyl)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide;hydrochloride
CID 120603417
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
CID 120603546

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride (CID 120604529) is N-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride is COc1cc(CC(=O)Nc2ccccc2C(=O)NCCN)cc(OC)c1OC.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride?
The InChIKey is PJCWULDUZMZBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5.ClH/c1-26-16-10-13(11-17(27-2)19(16)28-3)12-18(24)23-15-7-5-4-6-14(15)20(25)22-9-8-21;/h4-7,10-11H,8-9,12,21H2,1-3H3,(H,22,25)(H,23,24);1H.
What are the key properties of N-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride?
N-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride has a molecular weight of 423.90 g/mol, XLogP of 2.00, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride is sourced from PubChem (CID 120604529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).