4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide

C14H22N2O2 — CID 98784399

IUPAC4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide
SMILESCCOc1cc(C)c(NC(=O)CCCN)cc1C
InChIInChI=1S/C14H22N2O2/c1-4-18-13-9-10(2)12(8-11(13)3)16-14(17)6-5-7-15/h8-9H,4-7,15H2,1-3H3,(H,16,17)
InChIKeyXUIYMEDAULFZEA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.38
Rot. Bonds6

About 4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide

4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide (PubChem CID 98784399) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide
PubChem CID98784399
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide
SMILESCCOc1cc(C)c(NC(=O)CCCN)cc1C
InChIInChI=1S/C14H22N2O2/c1-4-18-13-9-10(2)12(8-11(13)3)16-14(17)6-5-7-15/h8-9H,4-7,15H2,1-3H3,(H,16,17)
InChIKeyXUIYMEDAULFZEA-UHFFFAOYSA-N
XLogP2.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxy-2,5-dimethylphenyl)urea
CID 82492490
4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide
CID 106954356
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride
CID 119268072
N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate
CID 28538834
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
methyl 2-[4-(4-aminobutanoylamino)-3-methylphenoxy]acetate
CID 119299848
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide?
The IUPAC name of 4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide (CID 98784399) is 4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide?
The canonical SMILES for 4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide is CCOc1cc(C)c(NC(=O)CCCN)cc1C.
What is the InChIKey of 4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide?
The InChIKey is XUIYMEDAULFZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-18-13-9-10(2)12(8-11(13)3)16-14(17)6-5-7-15/h8-9H,4-7,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide?
4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide has a molecular weight of 250.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide is sourced from PubChem (CID 98784399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).