N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide

C27H30N2O5 — CID 21367574

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NC(=O)C(C)Oc2cccc(C)c2)cc1OC
InChIInChI=1S/C27H30N2O5/c1-18-8-7-9-21(16-18)34-19(2)26(30)29-23-11-6-5-10-22(23)27(31)28-15-14-20-12-13-24(32-3)25(17-20)33-4/h5-13,16-17,19H,14-15H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyKVWVJDZTUVABGB-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.39
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide (PubChem CID 21367574) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide
PubChem CID21367574
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NC(=O)C(C)Oc2cccc(C)c2)cc1OC
InChIInChI=1S/C27H30N2O5/c1-18-8-7-9-21(16-18)34-19(2)26(30)29-23-11-6-5-10-22(23)27(31)28-15-14-20-12-13-24(32-3)25(17-20)33-4/h5-13,16-17,19H,14-15H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyKVWVJDZTUVABGB-UHFFFAOYSA-N
XLogP4.39
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]benzamide
CID 38007326
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide
CID 100761484
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 48586355
2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 38009756
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
CID 30384438
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
CID 92680845
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 30393729
2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92685505
2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide
CID 42561404
(2S)-2-(3-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 7026894
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide (CID 21367574) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide is COc1ccc(CCNC(=O)c2ccccc2NC(=O)C(C)Oc2cccc(C)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide?
The InChIKey is KVWVJDZTUVABGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-18-8-7-9-21(16-18)34-19(2)26(30)29-23-11-6-5-10-22(23)27(31)28-15-14-20-12-13-24(32-3)25(17-20)33-4/h5-13,16-17,19H,14-15H2,1-4H3,(H,28,31)(H,29,30).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide has a molecular weight of 462.55 g/mol, XLogP of 4.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 21367574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).