N-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide

C22H29NO2 — CID 123868805

IUPACN-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide
SMILESCOCC(C(=O)NCc1ccccc1)C(C)C(C)Cc1ccccc1
InChIInChI=1S/C22H29NO2/c1-17(14-19-10-6-4-7-11-19)18(2)21(16-25-3)22(24)23-15-20-12-8-5-9-13-20/h4-13,17-18,21H,14-16H2,1-3H3,(H,23,24)
InChIKeyRIJVKZYUQGKNBY-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.08
Rot. Bonds9

About N-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide

N-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide (PubChem CID 123868805) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide.

Molecular Properties

Compound NameN-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide
PubChem CID123868805
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide
SMILESCOCC(C(=O)NCc1ccccc1)C(C)C(C)Cc1ccccc1
InChIInChI=1S/C22H29NO2/c1-17(14-19-10-6-4-7-11-19)18(2)21(16-25-3)22(24)23-15-20-12-8-5-9-13-20/h4-13,17-18,21H,14-16H2,1-3H3,(H,23,24)
InChIKeyRIJVKZYUQGKNBY-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 880904
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2,N-Dibenzyl-malonamic acid ethyl ester
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N-[(4-methylphenyl)methyl]-2-phenylbutanamide
CID 2890018
2-phenyl-N-(2-phenylethyl)butanamide
CID 2905215
2-cyclohexyl-N-(1-phenylethyl)acetamide
CID 2912233
N-[(4-methylphenyl)methyl]-2,2-diphenylacetamide
CID 4072950
[2-Oxo-2-(1-phenylethylamino)ethyl] cyclohexanecarboxylate
CID 4395063
N-(4-Isopropylbenzyl)-3-phenylpropanamide
CID 563207
N-benzyl-3-phenylpropanamide
CID 730453
3-Phenyl-N-(1-phenylethyl)propanimidic acid
CID 64880

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide?
The IUPAC name of N-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide (CID 123868805) is N-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide.
What is the SMILES notation for N-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide?
The canonical SMILES for N-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide is COCC(C(=O)NCc1ccccc1)C(C)C(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide?
The InChIKey is RIJVKZYUQGKNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-17(14-19-10-6-4-7-11-19)18(2)21(16-25-3)22(24)23-15-20-12-8-5-9-13-20/h4-13,17-18,21H,14-16H2,1-3H3,(H,23,24).
What are the key properties of N-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide?
N-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide has a molecular weight of 339.48 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide is sourced from PubChem (CID 123868805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).