N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide

C14H22N2O2 — CID 28995274

IUPACN-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCc1c(N)cccc1NC(=O)CCOC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-10-11(15)6-5-7-12(10)16-13(17)8-9-18-14(2,3)4/h5-7H,8-9,15H2,1-4H3,(H,16,17)
InChIKeyJADFPHMPZWZRAR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.72
Rot. Bonds4

About N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide

N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 28995274) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID28995274
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCc1c(N)cccc1NC(=O)CCOC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-10-11(15)6-5-7-12(10)16-13(17)8-9-18-14(2,3)4/h5-7H,8-9,15H2,1-4H3,(H,16,17)
InChIKeyJADFPHMPZWZRAR-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide
CID 28995516
N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16783456
N-(3-amino-2-methylphenyl)-3-tert-butylsulfinylpropanamide
CID 61304225
N-(3-amino-2-methylphenyl)-4-propoxybutanamide
CID 43247848
N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974
N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide
CID 28995566
N-(3-amino-2-methylphenyl)-4-tert-butylsulfinylbutanamide
CID 61304602
N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 29002285
methyl 2-[3-(3-amino-2-methylanilino)-3-oxopropyl]sulfonylacetate
CID 43618125
N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide
CID 16784272
N-(3-amino-2-methylphenyl)-4-phenylbutanamide
CID 28939602
N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide
CID 16791407

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide (CID 28995274) is N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide is Cc1c(N)cccc1NC(=O)CCOC(C)(C)C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is JADFPHMPZWZRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-11(15)6-5-7-12(10)16-13(17)8-9-18-14(2,3)4/h5-7H,8-9,15H2,1-4H3,(H,16,17).
What are the key properties of N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 28995274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).