N-benzyl-2-(2-butan-2-ylphenoxy)propanamide

C20H25NO2 — CID 17129862

IUPACN-benzyl-2-(2-butan-2-ylphenoxy)propanamide
SMILESCCC(C)c1ccccc1OC(C)C(=O)NCc1ccccc1
InChIInChI=1S/C20H25NO2/c1-4-15(2)18-12-8-9-13-19(18)23-16(3)20(22)21-14-17-10-6-5-7-11-17/h5-13,15-16H,4,14H2,1-3H3,(H,21,22)
InChIKeyIDPSAJUEYUGUKP-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.28
Rot. Bonds7

About N-benzyl-2-(2-butan-2-ylphenoxy)propanamide

N-benzyl-2-(2-butan-2-ylphenoxy)propanamide (PubChem CID 17129862) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-benzyl-2-(2-butan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-benzyl-2-(2-butan-2-ylphenoxy)propanamide
PubChem CID17129862
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-benzyl-2-(2-butan-2-ylphenoxy)propanamide
SMILESCCC(C)c1ccccc1OC(C)C(=O)NCc1ccccc1
InChIInChI=1S/C20H25NO2/c1-4-15(2)18-12-8-9-13-19(18)23-16(3)20(22)21-14-17-10-6-5-7-11-17/h5-13,15-16H,4,14H2,1-3H3,(H,21,22)
InChIKeyIDPSAJUEYUGUKP-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 17129998
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
CID 17129978
N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide
CID 17129907
(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94018489
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636
(2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 41187411
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92683578
N-ethyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 55189875
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 17129881

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-butan-2-ylphenoxy)propanamide?
The IUPAC name of N-benzyl-2-(2-butan-2-ylphenoxy)propanamide (CID 17129862) is N-benzyl-2-(2-butan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-benzyl-2-(2-butan-2-ylphenoxy)propanamide?
The canonical SMILES for N-benzyl-2-(2-butan-2-ylphenoxy)propanamide is CCC(C)c1ccccc1OC(C)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-butan-2-ylphenoxy)propanamide?
The InChIKey is IDPSAJUEYUGUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-15(2)18-12-8-9-13-19(18)23-16(3)20(22)21-14-17-10-6-5-7-11-17/h5-13,15-16H,4,14H2,1-3H3,(H,21,22).
What are the key properties of N-benzyl-2-(2-butan-2-ylphenoxy)propanamide?
N-benzyl-2-(2-butan-2-ylphenoxy)propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-butan-2-ylphenoxy)propanamide is sourced from PubChem (CID 17129862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).