N-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide

C14H22N2O2 — CID 22104724

IUPACN-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide
SMILESCC(CN)NC(=O)c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C14H22N2O2/c1-9(8-15)16-13(18)10-6-5-7-11(12(10)17)14(2,3)4/h5-7,9,17H,8,15H2,1-4H3,(H,16,18)
InChIKeySSTDMLBCJXCSQB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.77
Rot. Bonds3

About N-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide

N-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide (PubChem CID 22104724) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide
PubChem CID22104724
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide
SMILESCC(CN)NC(=O)c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C14H22N2O2/c1-9(8-15)16-13(18)10-6-5-7-11(12(10)17)14(2,3)4/h5-7,9,17H,8,15H2,1-4H3,(H,16,18)
InChIKeySSTDMLBCJXCSQB-UHFFFAOYSA-N
XLogP1.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328
N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
CID 104873008
N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide
CID 104877025
N-[(2R)-1-aminopropan-2-yl]-3-chloro-2-fluorobenzamide
CID 104877144
N-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide
CID 22104699
5-[(2-tert-butylbenzoyl)amino]hexanoic acid
CID 82845775
N-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 63733821
N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-nitrobenzamide
CID 120507141
N-[(2R)-1-aminopropan-2-yl]-2-methyl-3-nitrobenzamide
CID 98540266
N-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide
CID 22104664
N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107015862
N-[(2S)-1-aminopropan-2-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 120505422

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide (CID 22104724) is N-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide is CC(CN)NC(=O)c1cccc(C(C)(C)C)c1O.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide?
The InChIKey is SSTDMLBCJXCSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(8-15)16-13(18)10-6-5-7-11(12(10)17)14(2,3)4/h5-7,9,17H,8,15H2,1-4H3,(H,16,18).
What are the key properties of N-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide?
N-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.77, 3 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)-3-tert-butyl-2-hydroxybenzamide is sourced from PubChem (CID 22104724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).