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

C17H26N2O4 — CID 108574268

IUPACN-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
SMILESCCCC(=O)NCCNC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H26N2O4/c1-4-5-16(20)18-10-11-19-17(21)9-7-13-6-8-14(22-2)15(12-13)23-3/h6,8,12H,4-5,7,9-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJFOLHDYKCANYGC-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.67
Rot. Bonds10

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

N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide (PubChem CID 108574268) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
PubChem CID108574268
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
SMILESCCCC(=O)NCCNC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H26N2O4/c1-4-5-16(20)18-10-11-19-17(21)9-7-13-6-8-14(22-2)15(12-13)23-3/h6,8,12H,4-5,7,9-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJFOLHDYKCANYGC-UHFFFAOYSA-N
XLogP1.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540155
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 108538969
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide
CID 108540073
2-bromo-N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]benzamide
CID 108539137
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide?
The IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide (CID 108574268) is N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide.
What is the SMILES notation for N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide?
The canonical SMILES for N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide is CCCC(=O)NCCNC(=O)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide?
The InChIKey is JFOLHDYKCANYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-4-5-16(20)18-10-11-19-17(21)9-7-13-6-8-14(22-2)15(12-13)23-3/h6,8,12H,4-5,7,9-11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide?
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide has a molecular weight of 322.41 g/mol, XLogP of 1.67, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide is sourced from PubChem (CID 108574268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).