N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide

C22H46N4O5 — CID 159487082

IUPACN-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide
SMILESC.C.C.CC(C)C(=O)NO.CC(C)C(=O)Nc1ccccc1N.CONC(=O)C(C)C
InChIInChI=1S/C10H14N2O.C5H11NO2.C4H9NO2.3CH4/c1-7(2)10(13)12-9-6-4-3-5-8(9)11;1-4(2)5(7)6-8-3;1-3(2)4(6)5-7;;;/h3-7H,11H2,1-2H3,(H,12,13);4H,1-3H3,(H,6,7);3,7H,1-2H3,(H,5,6);3*1H4
InChIKeyLXSGMUVJJOBYSI-UHFFFAOYSA-N
MW446.63 g/mol
LogP4.24
Rot. Bonds5

About N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide

N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide (PubChem CID 159487082) has the molecular formula C22H46N4O5 and a molecular weight of 446.63 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide
PubChem CID159487082
Molecular FormulaC22H46N4O5
Molecular Weight446.63 g/mol
Exact Mass446.35
IUPAC NameN-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide
SMILESC.C.C.CC(C)C(=O)NO.CC(C)C(=O)Nc1ccccc1N.CONC(=O)C(C)C
InChIInChI=1S/C10H14N2O.C5H11NO2.C4H9NO2.3CH4/c1-7(2)10(13)12-9-6-4-3-5-8(9)11;1-4(2)5(7)6-8-3;1-3(2)4(6)5-7;;;/h3-7H,11H2,1-2H3,(H,12,13);4H,1-3H3,(H,6,7);3,7H,1-2H3,(H,5,6);3*1H4
InChIKeyLXSGMUVJJOBYSI-UHFFFAOYSA-N
XLogP4.24
TPSA142.78 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.63
LogP ≤ 54.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;N-methoxy-2-methylpropanamide
CID 163775440
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
CID 167409598
N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide
CID 156811982
N-(2-amino-4-hydroxyphenyl)-2-methylpropanamide
CID 107697096
N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298351
N-(2-aminophenyl)-2-ethylsulfinylpropanamide
CID 61303245
N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride
CID 119422818
N-(2-aminophenyl)-2-[(2-chlorophenyl)methoxy]propanamide
CID 43110228
(2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane
CID 90713192
N-(2-formylphenyl)-2-methylpropanamide
CID 54327705
2-methylpropyl N-(2-aminophenyl)carbamate
CID 43185966

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide?
The IUPAC name of N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide (CID 159487082) is N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide?
The canonical SMILES for N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide is C.C.C.CC(C)C(=O)NO.CC(C)C(=O)Nc1ccccc1N.CONC(=O)C(C)C.
What is the InChIKey of N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide?
The InChIKey is LXSGMUVJJOBYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.C5H11NO2.C4H9NO2.3CH4/c1-7(2)10(13)12-9-6-4-3-5-8(9)11;1-4(2)5(7)6-8-3;1-3(2)4(6)5-7;;;/h3-7H,11H2,1-2H3,(H,12,13);4H,1-3H3,(H,6,7);3,7H,1-2H3,(H,5,6);3*1H4.
What are the key properties of N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide?
N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide has a molecular weight of 446.63 g/mol, XLogP of 4.24, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide is sourced from PubChem (CID 159487082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).