(3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium

C21H28N3O4+ — CID 8844790

IUPAC(3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
SMILESCCNC(=O)NC(=O)[C@H](c1ccccc1)[NH+](C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H27N3O4/c1-5-22-21(26)23-20(25)19(16-9-7-6-8-10-16)24(2)14-15-11-12-17(27-3)18(13-15)28-4/h6-13,19H,5,14H2,1-4H3,(H2,22,23,25,26)/p+1/t19-/m0/s1
InChIKeyCPDGAKKNTKVXFE-IBGZPJMESA-O
MW386.47 g/mol
LogP1.31
Rot. Bonds8

About (3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium

(3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium (PubChem CID 8844790) has the molecular formula C21H28N3O4+ and a molecular weight of 386.47 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
PubChem CID8844790
Molecular FormulaC21H28N3O4+
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name(3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
SMILESCCNC(=O)NC(=O)[C@H](c1ccccc1)[NH+](C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H27N3O4/c1-5-22-21(26)23-20(25)19(16-9-7-6-8-10-16)24(2)14-15-11-12-17(27-3)18(13-15)28-4/h6-13,19H,5,14H2,1-4H3,(H2,22,23,25,26)/p+1/t19-/m0/s1
InChIKeyCPDGAKKNTKVXFE-IBGZPJMESA-O
XLogP1.31
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium 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

[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8788774
2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 55543892
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8514292
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8694030
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]azanium
CID 9494704
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846329
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
(2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide
CID 8805645
[2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8552805
3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide
CID 12722073
1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 41327613
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772354

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
The IUPAC name of (3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium (CID 8844790) is (3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium.
What is the SMILES notation for (3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
The canonical SMILES for (3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium is CCNC(=O)NC(=O)[C@H](c1ccccc1)[NH+](C)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of (3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
The InChIKey is CPDGAKKNTKVXFE-IBGZPJMESA-O. The full InChI is InChI=1S/C21H27N3O4/c1-5-22-21(26)23-20(25)19(16-9-7-6-8-10-16)24(2)14-15-11-12-17(27-3)18(13-15)28-4/h6-13,19H,5,14H2,1-4H3,(H2,22,23,25,26)/p+1/t19-/m0/s1.
What are the key properties of (3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
(3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium has a molecular weight of 386.47 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium is sourced from PubChem (CID 8844790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).