3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

C22H37N3O4 — CID 42703578

IUPAC3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCCCCNC(=O)N(CCC(=O)NCCc1ccc(OC)c(OC)c1)C(C)CC
InChIInChI=1S/C22H37N3O4/c1-6-8-13-24-22(27)25(17(3)7-2)15-12-21(26)23-14-11-18-9-10-19(28-4)20(16-18)29-5/h9-10,16-17H,6-8,11-15H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyOAXYBVZWACKYIW-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.36
Rot. Bonds13

About 3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 42703578) has the molecular formula C22H37N3O4 and a molecular weight of 407.56 g/mol. Its IUPAC name is 3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID42703578
Molecular FormulaC22H37N3O4
Molecular Weight407.56 g/mol
Exact Mass407.28
IUPAC Name3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCCCCNC(=O)N(CCC(=O)NCCc1ccc(OC)c(OC)c1)C(C)CC
InChIInChI=1S/C22H37N3O4/c1-6-8-13-24-22(27)25(17(3)7-2)15-12-21(26)23-14-11-18-9-10-19(28-4)20(16-18)29-5/h9-10,16-17H,6-8,11-15H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyOAXYBVZWACKYIW-UHFFFAOYSA-N
XLogP3.36
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]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-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 42703855
N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide
CID 42703860
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
N-butan-2-yl-2,4-dichloro-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 42703858
3-[butan-2-yl-[(E)-3-phenylprop-2-enoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 42703866
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
1-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-propylurea
CID 108891350
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide
CID 42703210
N-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]butanamide
CID 132718142
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
N'-butan-2-yl-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108941786
3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113115368

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 42703578) is 3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is CCCCNC(=O)N(CCC(=O)NCCc1ccc(OC)c(OC)c1)C(C)CC.
What is the InChIKey of 3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is OAXYBVZWACKYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O4/c1-6-8-13-24-22(27)25(17(3)7-2)15-12-21(26)23-14-11-18-9-10-19(28-4)20(16-18)29-5/h9-10,16-17H,6-8,11-15H2,1-5H3,(H,23,26)(H,24,27).
What are the key properties of 3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 407.56 g/mol, XLogP of 3.36, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 42703578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).