2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide

C13H20N2O3 — CID 80556063

IUPAC2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC(CO)CO)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O3/c1-13(2,9-3-5-10(14)6-4-9)12(18)15-11(7-16)8-17/h3-6,11,16-17H,7-8,14H2,1-2H3,(H,15,18)
InChIKeyBDFMKYBMBSQJHF-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.02
Rot. Bonds5

About 2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide

2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide (PubChem CID 80556063) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide
PubChem CID80556063
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC(CO)CO)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O3/c1-13(2,9-3-5-10(14)6-4-9)12(18)15-11(7-16)8-17/h3-6,11,16-17H,7-8,14H2,1-2H3,(H,15,18)
InChIKeyBDFMKYBMBSQJHF-UHFFFAOYSA-N
XLogP0.02
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80751613
2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide
CID 80556865
2-(4-aminophenyl)-N-(4-hydroxybutan-2-yl)-2-methylpropanamide
CID 83176249
2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 104828198
(2S)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-3,3-dimethylbutanoic acid
CID 80555297
2-(4-aminophenyl)-2-methyl-N-(4-methylhexan-2-yl)propanamide
CID 80556155
(2S)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methylpentanoic acid
CID 80555300
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
2-(4-aminophenyl)-N-hex-1-yn-3-yl-2-methylpropanamide
CID 106230555
2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybutanoic acid
CID 80555164
2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 80556787
2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide (CID 80556063) is 2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide is CC(C)(C(=O)NC(CO)CO)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide?
The InChIKey is BDFMKYBMBSQJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,9-3-5-10(14)6-4-9)12(18)15-11(7-16)8-17/h3-6,11,16-17H,7-8,14H2,1-2H3,(H,15,18).
What are the key properties of 2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 0.02, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 80556063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).