4-(3,4-diethoxyanilino)-N-methylbutanamide

C15H24N2O3 — CID 63890112

IUPAC4-(3,4-diethoxyanilino)-N-methylbutanamide
SMILESCCOc1ccc(NCCCC(=O)NC)cc1OCC
InChIInChI=1S/C15H24N2O3/c1-4-19-13-9-8-12(11-14(13)20-5-2)17-10-6-7-15(18)16-3/h8-9,11,17H,4-7,10H2,1-3H3,(H,16,18)
InChIKeyRPYNVPVYGIPUOK-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.42
Rot. Bonds9

About 4-(3,4-diethoxyanilino)-N-methylbutanamide

4-(3,4-diethoxyanilino)-N-methylbutanamide (PubChem CID 63890112) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(3,4-diethoxyanilino)-N-methylbutanamide.

Molecular Properties

Compound Name4-(3,4-diethoxyanilino)-N-methylbutanamide
PubChem CID63890112
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-(3,4-diethoxyanilino)-N-methylbutanamide
SMILESCCOc1ccc(NCCCC(=O)NC)cc1OCC
InChIInChI=1S/C15H24N2O3/c1-4-19-13-9-8-12(11-14(13)20-5-2)17-10-6-7-15(18)16-3/h8-9,11,17H,4-7,10H2,1-3H3,(H,16,18)
InChIKeyRPYNVPVYGIPUOK-UHFFFAOYSA-N
XLogP2.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-diethoxyphenyl)propane-1,3-diamine
CID 62505868
3,4-diethoxy-N-(3-methylsulfonylpropyl)aniline
CID 63191159
N-butyl-2-(3,4-diethoxyanilino)acetamide
CID 60672654
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119717651
3,4-diethoxy-N-hept-6-enylaniline
CID 107006456
5-(3,4-diethoxyanilino)-5-oxopentanoic acid
CID 43396454
4-(3,4-dicyanoanilino)-N-methylbutanamide
CID 114001752
N-tert-butyl-2-(3,4-diethoxyanilino)acetamide
CID 28576637
4-(4-iodoanilino)-N-methylbutanamide
CID 63891617
4-ethoxy-3-methoxy-N-pentylaniline
CID 43229052
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
N-(3,4-diethoxyphenyl)acetamide
CID 13120229

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diethoxyanilino)-N-methylbutanamide?
The IUPAC name of 4-(3,4-diethoxyanilino)-N-methylbutanamide (CID 63890112) is 4-(3,4-diethoxyanilino)-N-methylbutanamide.
What is the SMILES notation for 4-(3,4-diethoxyanilino)-N-methylbutanamide?
The canonical SMILES for 4-(3,4-diethoxyanilino)-N-methylbutanamide is CCOc1ccc(NCCCC(=O)NC)cc1OCC.
What is the InChIKey of 4-(3,4-diethoxyanilino)-N-methylbutanamide?
The InChIKey is RPYNVPVYGIPUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-19-13-9-8-12(11-14(13)20-5-2)17-10-6-7-15(18)16-3/h8-9,11,17H,4-7,10H2,1-3H3,(H,16,18).
What are the key properties of 4-(3,4-diethoxyanilino)-N-methylbutanamide?
4-(3,4-diethoxyanilino)-N-methylbutanamide has a molecular weight of 280.37 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diethoxyanilino)-N-methylbutanamide is sourced from PubChem (CID 63890112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).