3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide

C17H28N2O2 — CID 170875716

IUPAC3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
SMILESCC(C)(C)c1cc(C(N)CC(N)=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H28N2O2/c1-16(2,3)11-7-10(13(18)9-14(19)20)8-12(15(11)21)17(4,5)6/h7-8,13,21H,9,18H2,1-6H3,(H2,19,20)
InChIKeyFAGSYPDGPPSYAY-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.86
Rot. Bonds3

About 3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide

3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide (PubChem CID 170875716) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
PubChem CID170875716
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
SMILESCC(C)(C)c1cc(C(N)CC(N)=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H28N2O2/c1-16(2,3)11-7-10(13(18)9-14(19)20)8-12(15(11)21)17(4,5)6/h7-8,13,21H,9,18H2,1-6H3,(H2,19,20)
InChIKeyFAGSYPDGPPSYAY-UHFFFAOYSA-N
XLogP2.86
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;hydrate
CID 170872551
4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197802
2,6-ditert-butyl-4-[(1R)-1,3-diaminopropyl]phenol;hydrochloride
CID 171197796
4-[(1R)-1-amino-3-fluoropropyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197822
(3S)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
CID 29059837
(3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
CID 29059840
2-[2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)acetyl]oxyethyl 2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 87082508
4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197816
ethyl (2R)-2-amino-3,3-bis(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 92844540
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane
CID 143771604
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?
The IUPAC name of 3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide (CID 170875716) is 3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?
The canonical SMILES for 3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide is CC(C)(C)c1cc(C(N)CC(N)=O)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?
The InChIKey is FAGSYPDGPPSYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-16(2,3)11-7-10(13(18)9-14(19)20)8-12(15(11)21)17(4,5)6/h7-8,13,21H,9,18H2,1-6H3,(H2,19,20).
What are the key properties of 3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?
3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide is sourced from PubChem (CID 170875716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).