N,N-dibenzyl-2-(2-methylphenoxy)butanamide

C25H27NO2 — CID 43916295

IUPACN,N-dibenzyl-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H27NO2/c1-3-23(28-24-17-11-10-12-20(24)2)25(27)26(18-21-13-6-4-7-14-21)19-22-15-8-5-9-16-22/h4-17,23H,3,18-19H2,1-2H3
InChIKeyPURFLSIAUPLBQN-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.38
Rot. Bonds8

About N,N-dibenzyl-2-(2-methylphenoxy)butanamide

N,N-dibenzyl-2-(2-methylphenoxy)butanamide (PubChem CID 43916295) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N,N-dibenzyl-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(2-methylphenoxy)butanamide
PubChem CID43916295
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC NameN,N-dibenzyl-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H27NO2/c1-3-23(28-24-17-11-10-12-20(24)2)25(27)26(18-21-13-6-4-7-14-21)19-22-15-8-5-9-16-22/h4-17,23H,3,18-19H2,1-2H3
InChIKeyPURFLSIAUPLBQN-UHFFFAOYSA-N
XLogP5.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide
CID 28575103
N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide
CID 46770642
ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968
(2R)-2-(2-methylphenoxy)butanoyl chloride
CID 51980370
(2R)-N-cyclopentyl-N-methyl-2-(2-methylphenoxy)butanamide
CID 92680266
(2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide
CID 28572865
N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133202268
(2S)-2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide
CID 99952134
2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide
CID 133144199
N-benzyl-N-methyl-3-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 43877323
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(2-methylphenoxy)butanamide?
The IUPAC name of N,N-dibenzyl-2-(2-methylphenoxy)butanamide (CID 43916295) is N,N-dibenzyl-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N,N-dibenzyl-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N,N-dibenzyl-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-(2-methylphenoxy)butanamide?
The InChIKey is PURFLSIAUPLBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-3-23(28-24-17-11-10-12-20(24)2)25(27)26(18-21-13-6-4-7-14-21)19-22-15-8-5-9-16-22/h4-17,23H,3,18-19H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-(2-methylphenoxy)butanamide?
N,N-dibenzyl-2-(2-methylphenoxy)butanamide has a molecular weight of 373.50 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 43916295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).