N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide

C15H22N2O4 — CID 108941868

IUPACN'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide
SMILESCCC(C)NC(=O)CC(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-5-10(2)16-14(18)9-15(19)17-11-6-7-12(20-3)13(8-11)21-4/h6-8,10H,5,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyDMUCFKZLXUAZGX-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.95
Rot. Bonds7

About N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide

N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide (PubChem CID 108941868) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide
PubChem CID108941868
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide
SMILESCCC(C)NC(=O)CC(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-5-10(2)16-14(18)9-15(19)17-11-6-7-12(20-3)13(8-11)21-4/h6-8,10H,5,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyDMUCFKZLXUAZGX-UHFFFAOYSA-N
XLogP1.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide
CID 108941829
N'-butan-2-yl-N-(2,5-dimethoxyphenyl)propanediamide
CID 108941866
N'-butan-2-yl-N-(3,4-difluorophenyl)propanediamide
CID 108941925
N'-butan-2-yl-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108941786
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782633
ethyl 4-[[3-(3,4-dimethoxyanilino)-3-oxopropanoyl]amino]benzoate
CID 108956010
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836
N-[(3,4-dimethoxyphenyl)carbamothioyl]-3-methylbutanamide
CID 54781521
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 112999279

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide?
The IUPAC name of N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide (CID 108941868) is N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide.
What is the SMILES notation for N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide?
The canonical SMILES for N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide is CCC(C)NC(=O)CC(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide?
The InChIKey is DMUCFKZLXUAZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-10(2)16-14(18)9-15(19)17-11-6-7-12(20-3)13(8-11)21-4/h6-8,10H,5,9H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide?
N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide has a molecular weight of 294.35 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide is sourced from PubChem (CID 108941868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).