N,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide

C29H35NO2 — CID 123215791

IUPACN,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide
SMILESCOCC(C(=O)NCc1ccccc1)C(C)C(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H35NO2/c1-23(28(22-32-2)29(31)30-21-26-16-10-5-11-17-26)27(20-25-14-8-4-9-15-25)19-18-24-12-6-3-7-13-24/h3-17,23,27-28H,18-22H2,1-2H3,(H,30,31)
InChIKeyHUJMOIPTSLSENO-UHFFFAOYSA-N
MW429.60 g/mol
LogP5.69
Rot. Bonds12

About N,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide

N,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide (PubChem CID 123215791) has the molecular formula C29H35NO2 and a molecular weight of 429.60 g/mol. Its IUPAC name is N,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide.

Molecular Properties

Compound NameN,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide
PubChem CID123215791
Molecular FormulaC29H35NO2
Molecular Weight429.60 g/mol
Exact Mass429.27
IUPAC NameN,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide
SMILESCOCC(C(=O)NCc1ccccc1)C(C)C(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H35NO2/c1-23(28(22-32-2)29(31)30-21-26-16-10-5-11-17-26)27(20-25-14-8-4-9-15-25)19-18-24-12-6-3-7-13-24/h3-17,23,27-28H,18-22H2,1-2H3,(H,30,31)
InChIKeyHUJMOIPTSLSENO-UHFFFAOYSA-N
XLogP5.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.60
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,N-Dibenzyl-malonamic acid ethyl ester
CID 2836855
N-[(4-methylphenyl)methyl]-2,2-diphenylacetamide
CID 4072950
N-benzyl-2-(4-phenylphenyl)acetamide
CID 2558390
N-[(2-fluorophenyl)methyl]-2,2-diphenylacetamide
CID 597819
N-(4-Isopropylbenzyl)-3-phenylpropanamide
CID 563207
N-benzyl-2,2-diphenylacetamide
CID 349569
2-(4-biphenylyl)-N-(4-methylbenzyl)acetamide
CID 2185046
[2-(Benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2365335
Methyl 3-[(3-ethoxy-3-oxopropanoyl)amino]-3-(4-isopropylphenyl)propanoate
CID 2768159
[2-Oxo-2-(1-phenylethylamino)ethyl] 3,3-diphenylpropanoate
CID 3253072
2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide
CID 44562972
2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(3-phenylphenyl)methyl]acetamide
CID 45484938

Frequently Asked Questions

What is the IUPAC name of N,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide?
The IUPAC name of N,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide (CID 123215791) is N,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide.
What is the SMILES notation for N,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide?
The canonical SMILES for N,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide is COCC(C(=O)NCc1ccccc1)C(C)C(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide?
The InChIKey is HUJMOIPTSLSENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO2/c1-23(28(22-32-2)29(31)30-21-26-16-10-5-11-17-26)27(20-25-14-8-4-9-15-25)19-18-24-12-6-3-7-13-24/h3-17,23,27-28H,18-22H2,1-2H3,(H,30,31).
What are the key properties of N,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide?
N,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide has a molecular weight of 429.60 g/mol, XLogP of 5.69, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide is sourced from PubChem (CID 123215791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).