N-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide

C19H32N2O2 — CID 22104699

IUPACN-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide
SMILESCC(CN)NC(=O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H32N2O2/c1-12(11-20)21-16(22)10-13-8-14(18(2,3)4)17(23)15(9-13)19(5,6)7/h8-9,12,23H,10-11,20H2,1-7H3,(H,21,22)
InChIKeyURUGSDCUCGBPTR-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.99
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide

N-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide (PubChem CID 22104699) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide
PubChem CID22104699
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide
SMILESCC(CN)NC(=O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H32N2O2/c1-12(11-20)21-16(22)10-13-8-14(18(2,3)4)17(23)15(9-13)19(5,6)7/h8-9,12,23H,10-11,20H2,1-7H3,(H,21,22)
InChIKeyURUGSDCUCGBPTR-UHFFFAOYSA-N
XLogP2.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-one
CID 20708554
methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropanoate
CID 18974158
N-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide
CID 22104724
1-(3,5-ditert-butyl-4-hydroxyphenyl)butane-2,3-dione
CID 57227940
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enamide
CID 87833588
2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]propanoic acid
CID 175098384
4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol
CID 170887995
N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane
CID 143771604
N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 120509175
N-[(2S)-1-aminopropan-2-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120506260
N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide
CID 120505769

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide (CID 22104699) is N-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide is CC(CN)NC(=O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide?
The InChIKey is URUGSDCUCGBPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-12(11-20)21-16(22)10-13-8-14(18(2,3)4)17(23)15(9-13)19(5,6)7/h8-9,12,23H,10-11,20H2,1-7H3,(H,21,22).
What are the key properties of N-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide?
N-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide has a molecular weight of 320.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 22104699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).