2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide

C14H22N2O2 — CID 81081326

IUPAC2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)10-5-7-11(8-6-10)16-13(17)12(15)9-18-4/h5-8,12H,9,15H2,1-4H3,(H,16,17)
InChIKeyZLCWHJUDTDVHMZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.90
Rot. Bonds4

About 2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide

2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide (PubChem CID 81081326) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
PubChem CID81081326
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)10-5-7-11(8-6-10)16-13(17)12(15)9-18-4/h5-8,12H,9,15H2,1-4H3,(H,16,17)
InChIKeyZLCWHJUDTDVHMZ-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
CID 120984756
2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 120986274
ethyl 4-[(2-amino-3-methoxypropanoyl)amino]benzoate
CID 81088417
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate
CID 81083437
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one
CID 116594171
2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide
CID 81083287
2-amino-3-methoxy-N-[4-(2-methylsulfanylethyl)phenyl]propanamide;hydrochloride
CID 120988865
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide
CID 120985693

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide (CID 81081326) is 2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide is COCC(N)C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide?
The InChIKey is ZLCWHJUDTDVHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)10-5-7-11(8-6-10)16-13(17)12(15)9-18-4/h5-8,12H,9,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide?
2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide is sourced from PubChem (CID 81081326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).