N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide

C15H24N2O2 — CID 110834140

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NC(C)(C)CN)c1
InChIInChI=1S/C15H24N2O2/c1-11-7-12(2)9-13(8-11)19-6-5-14(18)17-15(3,4)10-16/h7-9H,5-6,10,16H2,1-4H3,(H,17,18)
InChIKeyIQBAEONCBXBSOC-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.93
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide

N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide (PubChem CID 110834140) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide
PubChem CID110834140
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NC(C)(C)CN)c1
InChIInChI=1S/C15H24N2O2/c1-11-7-12(2)9-13(8-11)19-6-5-14(18)17-15(3,4)10-16/h7-9H,5-6,10,16H2,1-4H3,(H,17,18)
InChIKeyIQBAEONCBXBSOC-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide
CID 60731427
N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119522177
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531
N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119522331
N-(1-amino-2-methylpropan-2-yl)-3-pyridin-3-yloxypropanamide
CID 110834154
N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide
CID 66170491
N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide
CID 119524592
methyl (2S)-2-[3-(3,5-dimethylphenoxy)propanoylamino]propanoate
CID 87040329
3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772894
ethyl 2-[3-(3,5-dimethylphenoxy)propanoylamino]propanoate
CID 61344778
3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81489998

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide (CID 110834140) is N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(OCCC(=O)NC(C)(C)CN)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide?
The InChIKey is IQBAEONCBXBSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-7-12(2)9-13(8-11)19-6-5-14(18)17-15(3,4)10-16/h7-9H,5-6,10,16H2,1-4H3,(H,17,18).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide?
N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 110834140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).