3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide

C22H29NO5 — CID 46764441

IUPAC3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1OC
InChIInChI=1S/C22H29NO5/c1-15(2)28-19-10-7-17(13-21(19)27-5)14-23-22(24)11-8-16-6-9-18(25-3)20(12-16)26-4/h6-7,9-10,12-13,15H,8,11,14H2,1-5H3,(H,23,24)
InChIKeyHEAUWXAOOVDCRD-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.75
Rot. Bonds10

About 3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 46764441) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID46764441
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1OC
InChIInChI=1S/C22H29NO5/c1-15(2)28-19-10-7-17(13-21(19)27-5)14-23-22(24)11-8-16-6-9-18(25-3)20(12-16)26-4/h6-7,9-10,12-13,15H,8,11,14H2,1-5H3,(H,23,24)
InChIKeyHEAUWXAOOVDCRD-UHFFFAOYSA-N
XLogP3.75
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide 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-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 33155420
3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 38999781
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 2640900
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
3-(3,4-dimethoxyphenyl)-N-[(4-nitrophenyl)methyl]propanamide
CID 23087634
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55931587

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide (CID 46764441) is 3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide is COc1ccc(CCC(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is HEAUWXAOOVDCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5/c1-15(2)28-19-10-7-17(13-21(19)27-5)14-23-22(24)11-8-16-6-9-18(25-3)20(12-16)26-4/h6-7,9-10,12-13,15H,8,11,14H2,1-5H3,(H,23,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 387.48 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 46764441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).