(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium

C21H29N2O3+ — CID 9101509

IUPAC(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium
SMILESCOc1ccc(C[NH+](C)CC(=O)NCCCc2ccccc2)c(OC)c1
InChIInChI=1S/C21H28N2O3/c1-23(15-18-11-12-19(25-2)14-20(18)26-3)16-21(24)22-13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,14H,7,10,13,15-16H2,1-3H3,(H,22,24)/p+1
InChIKeyLBBIQHIRUOYQBH-UHFFFAOYSA-O
MW357.47 g/mol
LogP1.47
Rot. Bonds10

About (2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium

(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium (PubChem CID 9101509) has the molecular formula C21H29N2O3+ and a molecular weight of 357.47 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium
PubChem CID9101509
Molecular FormulaC21H29N2O3+
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC Name(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium
SMILESCOc1ccc(C[NH+](C)CC(=O)NCCCc2ccccc2)c(OC)c1
InChIInChI=1S/C21H28N2O3/c1-23(15-18-11-12-19(25-2)14-20(18)26-3)16-21(24)22-13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,14H,7,10,13,15-16H2,1-3H3,(H,22,24)/p+1
InChIKeyLBBIQHIRUOYQBH-UHFFFAOYSA-O
XLogP1.47
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium 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

(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium
CID 9431673
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 31883595
(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9136480
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 38382602
N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55919627
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 9101079
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 9101114
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8845954
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030966
[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761467

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium?
The IUPAC name of (2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium (CID 9101509) is (2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium.
What is the SMILES notation for (2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium?
The canonical SMILES for (2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium is COc1ccc(C[NH+](C)CC(=O)NCCCc2ccccc2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium?
The InChIKey is LBBIQHIRUOYQBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H28N2O3/c1-23(15-18-11-12-19(25-2)14-20(18)26-3)16-21(24)22-13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,14H,7,10,13,15-16H2,1-3H3,(H,22,24)/p+1.
What are the key properties of (2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium?
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium has a molecular weight of 357.47 g/mol, XLogP of 1.47, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium is sourced from PubChem (CID 9101509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).