3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride

C20H26ClN3O4 — CID 119419483

IUPAC3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride
SMILESCCOc1ccccc1C(CC(=O)Nc1ccc(OC)c(N)c1)NC(C)=O.Cl
InChIInChI=1S/C20H25N3O4.ClH/c1-4-27-18-8-6-5-7-15(18)17(22-13(2)24)12-20(25)23-14-9-10-19(26-3)16(21)11-14;/h5-11,17H,4,12,21H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyOPLYPFPPDIVLHG-UHFFFAOYSA-N
MW407.90 g/mol
LogP3.30
Rot. Bonds8

About 3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride

3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride (PubChem CID 119419483) has the molecular formula C20H26ClN3O4 and a molecular weight of 407.90 g/mol. Its IUPAC name is 3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride
PubChem CID119419483
Molecular FormulaC20H26ClN3O4
Molecular Weight407.90 g/mol
Exact Mass407.16
IUPAC Name3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride
SMILESCCOc1ccccc1C(CC(=O)Nc1ccc(OC)c(N)c1)NC(C)=O.Cl
InChIInChI=1S/C20H25N3O4.ClH/c1-4-27-18-8-6-5-7-15(18)17(22-13(2)24)12-20(25)23-14-9-10-19(26-3)16(21)11-14;/h5-11,17H,4,12,21H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyOPLYPFPPDIVLHG-UHFFFAOYSA-N
XLogP3.30
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 53.30
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

N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride
CID 119419024
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
N-(3-amino-4-ethoxyphenyl)-2-methoxybenzamide
CID 70635969
N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide
CID 119420495
3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide
CID 119627423
3-acetamido-N-(1-aminopropan-2-yl)-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 119582642
3-acetamido-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)propanamide
CID 42962669
(3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide
CID 7999988
N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
CID 119419096
3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 55888374
3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120830987
3-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2-methylpropanoic acid
CID 119237711

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of 3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride (CID 119419483) is 3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride is CCOc1ccccc1C(CC(=O)Nc1ccc(OC)c(N)c1)NC(C)=O.Cl.
What is the InChIKey of 3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride?
The InChIKey is OPLYPFPPDIVLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4.ClH/c1-4-27-18-8-6-5-7-15(18)17(22-13(2)24)12-20(25)23-14-9-10-19(26-3)16(21)11-14;/h5-11,17H,4,12,21H2,1-3H3,(H,22,24)(H,23,25);1H.
What are the key properties of 3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride?
3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride has a molecular weight of 407.90 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119419483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).