4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide

C18H22N2O3 — CID 57406374

IUPAC4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide
SMILESCc1cccc(C)c1OCC(C)NC(=O)c1ccc(N)cc1O
InChIInChI=1S/C18H22N2O3/c1-11-5-4-6-12(2)17(11)23-10-13(3)20-18(22)15-8-7-14(19)9-16(15)21/h4-9,13,21H,10,19H2,1-3H3,(H,20,22)
InChIKeyOJANNPUZVGMLHB-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.79
Rot. Bonds5

About 4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide

4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide (PubChem CID 57406374) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide
PubChem CID57406374
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide
SMILESCc1cccc(C)c1OCC(C)NC(=O)c1ccc(N)cc1O
InChIInChI=1S/C18H22N2O3/c1-11-5-4-6-12(2)17(11)23-10-13(3)20-18(22)15-8-7-14(19)9-16(15)21/h4-9,13,21H,10,19H2,1-3H3,(H,20,22)
InChIKeyOJANNPUZVGMLHB-UHFFFAOYSA-N
XLogP2.79
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 164614215
(2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate
CID 23275051
5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide
CID 3668905
2-[2-[[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]carbamoyl]anilino]acetic acid
CID 95122811
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978
2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid
CID 122055375
2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide
CID 57406196
N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136710891
2,4-dimethyl-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 133201539
2-(cyclopropylmethylamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide;hydrochloride
CID 119745985
2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104126

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide?
The IUPAC name of 4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide (CID 57406374) is 4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide?
The canonical SMILES for 4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide is Cc1cccc(C)c1OCC(C)NC(=O)c1ccc(N)cc1O.
What is the InChIKey of 4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide?
The InChIKey is OJANNPUZVGMLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-11-5-4-6-12(2)17(11)23-10-13(3)20-18(22)15-8-7-14(19)9-16(15)21/h4-9,13,21H,10,19H2,1-3H3,(H,20,22).
What are the key properties of 4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide?
4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide has a molecular weight of 314.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 57406374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).