N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide

C15H24N2O2 — CID 106139517

IUPACN-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide
SMILESCC(C)(CCN)CNC(=O)CCOc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(2,9-10-16)12-17-14(18)8-11-19-13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3,(H,17,18)
InChIKeyNYNGZTUZIKBKAP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.95
Rot. Bonds8

About N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide

N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide (PubChem CID 106139517) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide
PubChem CID106139517
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide
SMILESCC(C)(CCN)CNC(=O)CCOc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(2,9-10-16)12-17-14(18)8-11-19-13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3,(H,17,18)
InChIKeyNYNGZTUZIKBKAP-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-methylpropyl]-3-phenoxypropanamide
CID 112504871
3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106139288
3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103825257
3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide
CID 103459992
N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide
CID 82724045
3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108573551
3,3-dimethyl-4-phenoxybutan-1-amine
CID 115019571
N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
CID 119996875
N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide
CID 66168988
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549
3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772894

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide (CID 106139517) is N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide is CC(C)(CCN)CNC(=O)CCOc1ccccc1.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide?
The InChIKey is NYNGZTUZIKBKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,9-10-16)12-17-14(18)8-11-19-13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3,(H,17,18).
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide?
N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide is sourced from PubChem (CID 106139517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).