N-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide

C15H24N2O3 — CID 20978214

IUPACN-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)N(CO)C(C)CO
InChIInChI=1S/C15H24N2O3/c1-10-6-5-7-11(2)14(10)16-15(20)13(4)17(9-19)12(3)8-18/h5-7,12-13,18-19H,8-9H2,1-4H3,(H,16,20)
InChIKeyUEGMVZNYZKQUIQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.26
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide

N-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide (PubChem CID 20978214) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide
PubChem CID20978214
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)N(CO)C(C)CO
InChIInChI=1S/C15H24N2O3/c1-10-6-5-7-11(2)14(10)16-15(20)13(4)17(9-19)12(3)8-18/h5-7,12-13,18-19H,8-9H2,1-4H3,(H,16,20)
InChIKeyUEGMVZNYZKQUIQ-UHFFFAOYSA-N
XLogP1.26
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 111463922
[1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium
CID 156737684
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494913
[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 158149589
2-(diethylamino)-N-(2,6-dimethylphenyl)pentanamide
CID 3048765
N-(2,6-dimethylphenyl)-4-methyl-2-(methylamino)pentanamide
CID 110838096
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide
CID 67216874

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide (CID 20978214) is N-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide is Cc1cccc(C)c1NC(=O)C(C)N(CO)C(C)CO.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide?
The InChIKey is UEGMVZNYZKQUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10-6-5-7-11(2)14(10)16-15(20)13(4)17(9-19)12(3)8-18/h5-7,12-13,18-19H,8-9H2,1-4H3,(H,16,20).
What are the key properties of N-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide?
N-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide is sourced from PubChem (CID 20978214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).