4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide

C17H20N2O2 — CID 80541383

IUPAC4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide
SMILESCC(CCN)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-13(11-12-18)17(20)19-15-9-5-6-10-16(15)21-14-7-3-2-4-8-14/h2-10,13H,11-12,18H2,1H3,(H,19,20)
InChIKeyOGHMAARCPWFHKM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.40
Rot. Bonds6

About 4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide

4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide (PubChem CID 80541383) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide
PubChem CID80541383
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide
SMILESCC(CCN)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-13(11-12-18)17(20)19-15-9-5-6-10-16(15)21-14-7-3-2-4-8-14/h2-10,13H,11-12,18H2,1H3,(H,19,20)
InChIKeyOGHMAARCPWFHKM-UHFFFAOYSA-N
XLogP3.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenoxyphenyl)-2-phenylpropanamide
CID 2933761
N-[2-(2-aminoethoxy)phenyl]-2-methylpentanamide
CID 43369579
(2R)-2-(2-methylphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 30392256
(2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 42093263
2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide
CID 21368419
2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 18837904
N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide
CID 18170387
2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 112516204
[(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium
CID 6941208
6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide
CID 42764519
1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide
CID 80545256

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide?
The IUPAC name of 4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide (CID 80541383) is 4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide?
The canonical SMILES for 4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide is CC(CCN)C(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide?
The InChIKey is OGHMAARCPWFHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(11-12-18)17(20)19-15-9-5-6-10-16(15)21-14-7-3-2-4-8-14/h2-10,13H,11-12,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide?
4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide has a molecular weight of 284.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide is sourced from PubChem (CID 80541383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).