N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C22H29NO2 — CID 133162903

IUPACN-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCCN(Cc1ccccc1)C(=O)C(C)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C22H29NO2/c1-6-23(15-19-10-8-7-9-11-19)22(24)18(5)25-21-14-17(4)12-13-20(21)16(2)3/h7-14,16,18H,6,15H2,1-5H3
InChIKeyXYIGNNBRYSMEFW-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.93
Rot. Bonds7

About N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 133162903) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID133162903
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCCN(Cc1ccccc1)C(=O)C(C)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C22H29NO2/c1-6-23(15-19-10-8-7-9-11-19)22(24)18(5)25-21-14-17(4)12-13-20(21)16(2)3/h7-14,16,18H,6,15H2,1-5H3
InChIKeyXYIGNNBRYSMEFW-UHFFFAOYSA-N
XLogP4.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119190845
(2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide
CID 94840107
(2R)-N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 7499253
(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 98831423
2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one
CID 64866513
N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 75893243
N-(2-methyl-1-phenylpropan-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133202200
methyl 2-[benzyl-[2-(2-bromo-4-methylphenoxy)propanoyl]amino]acetate
CID 55991956
(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide
CID 40742883
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 3707054

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 133162903) is N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is CCN(Cc1ccccc1)C(=O)C(C)Oc1cc(C)ccc1C(C)C.
What is the InChIKey of N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is XYIGNNBRYSMEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-6-23(15-19-10-8-7-9-11-19)22(24)18(5)25-21-14-17(4)12-13-20(21)16(2)3/h7-14,16,18H,6,15H2,1-5H3.
What are the key properties of N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 339.48 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 133162903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).