N'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide

C19H30N2O4 — CID 108510078

IUPACN'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H30N2O4/c1-6-8-12-21(11-7-2)19(23)18(22)20-14(3)15-9-10-16(24-4)17(13-15)25-5/h9-10,13-14H,6-8,11-12H2,1-5H3,(H,20,22)
InChIKeyXCSFWNIASPASPT-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.92
Rot. Bonds9

About N'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide

N'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide (PubChem CID 108510078) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide.

Molecular Properties

Compound NameN'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide
PubChem CID108510078
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H30N2O4/c1-6-8-12-21(11-7-2)19(23)18(22)20-14(3)15-9-10-16(24-4)17(13-15)25-5/h9-10,13-14H,6-8,11-12H2,1-5H3,(H,20,22)
InChIKeyXCSFWNIASPASPT-UHFFFAOYSA-N
XLogP2.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide
CID 110300991
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxypropyl)oxamide
CID 108510076
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
(2S)-2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propanamide
CID 119296501
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
1-butyl-3-[(3,4-dimethoxyphenyl)methyl]-1-propylurea
CID 108896769
1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
CID 108910581
2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 119736427
2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide
CID 79805617

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide?
The IUPAC name of N'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide (CID 108510078) is N'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide.
What is the SMILES notation for N'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide?
The canonical SMILES for N'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide is CCCCN(CCC)C(=O)C(=O)NC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of N'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide?
The InChIKey is XCSFWNIASPASPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-6-8-12-21(11-7-2)19(23)18(22)20-14(3)15-9-10-16(24-4)17(13-15)25-5/h9-10,13-14H,6-8,11-12H2,1-5H3,(H,20,22).
What are the key properties of N'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide?
N'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide has a molecular weight of 350.46 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide is sourced from PubChem (CID 108510078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).