N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide

C13H18N2O4 — CID 106592029

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide
SMILESCC(C(=O)NC(C)(C)CO)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H18N2O4/c1-9(12(17)14-13(2,3)8-16)10-5-4-6-11(7-10)15(18)19/h4-7,9,16H,8H2,1-3H3,(H,14,17)
InChIKeyJVGBAUOAXOMXHP-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.59
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide (PubChem CID 106592029) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide
PubChem CID106592029
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide
SMILESCC(C(=O)NC(C)(C)CO)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H18N2O4/c1-9(12(17)14-13(2,3)8-16)10-5-4-6-11(7-10)15(18)19/h4-7,9,16H,8H2,1-3H3,(H,14,17)
InChIKeyJVGBAUOAXOMXHP-UHFFFAOYSA-N
XLogP1.59
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide
CID 106592058
N-[(2S)-2-hydroxypropyl]-2-(3-nitrophenyl)propanamide
CID 106592096
2-[2-(3-nitrophenyl)propanoylamino]acetic acid
CID 106591944
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide
CID 106592192
2,4,4-trimethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine
CID 43731079
N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide
CID 106592073
N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide
CID 106592010
N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide
CID 106592005
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide
CID 43500706
2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 106592140
N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide
CID 106704157
N-[(3-bromothiophen-2-yl)methyl]-2-(3-nitrophenyl)propanamide
CID 106592019

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide (CID 106592029) is N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide is CC(C(=O)NC(C)(C)CO)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide?
The InChIKey is JVGBAUOAXOMXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(12(17)14-13(2,3)8-16)10-5-4-6-11(7-10)15(18)19/h4-7,9,16H,8H2,1-3H3,(H,14,17).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide has a molecular weight of 266.30 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide is sourced from PubChem (CID 106592029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).