N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide

C14H22N2O2 — CID 119625770

IUPACN-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCC(C)(C)N)c1
InChIInChI=1S/C14H22N2O2/c1-10-6-5-7-12(8-10)18-11(2)13(17)16-9-14(3,4)15/h5-8,11H,9,15H2,1-4H3,(H,16,17)
InChIKeyBYEVHCYVEBIBOD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.62
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide

N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide (PubChem CID 119625770) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
PubChem CID119625770
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCC(C)(C)N)c1
InChIInChI=1S/C14H22N2O2/c1-10-6-5-7-12(8-10)18-11(2)13(17)16-9-14(3,4)15/h5-8,11H,9,15H2,1-4H3,(H,16,17)
InChIKeyBYEVHCYVEBIBOD-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diphenylpropyl)-2-(3-methylphenoxy)propanamide
CID 18272008
N-(2-amino-2-methylpropyl)-2-(3-chlorophenoxy)propanamide
CID 81483033
N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride
CID 119630231
N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119626548
2-(3-methylphenoxy)propanehydrazide
CID 3021693
N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
CID 119504615
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide
CID 115410151
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 110909100
N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride
CID 119547439
N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide
CID 112550466
tert-butyl 2-(3-methylphenoxy)propanoate
CID 66337727

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide (CID 119625770) is N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NCC(C)(C)N)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide?
The InChIKey is BYEVHCYVEBIBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-6-5-7-12(8-10)18-11(2)13(17)16-9-14(3,4)15/h5-8,11H,9,15H2,1-4H3,(H,16,17).
What are the key properties of N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide?
N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 119625770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).