N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide

C21H27NO2 — CID 8777185

IUPACN-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C21H27NO2/c1-14(2)18-10-7-11-19(15(3)4)20(18)22-21(23)17-9-6-8-16(12-17)13-24-5/h6-12,14-15H,13H2,1-5H3,(H,22,23)
InChIKeyMXVXCVRRMJZUTM-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.33
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide

N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide (PubChem CID 8777185) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide
PubChem CID8777185
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C21H27NO2/c1-14(2)18-10-7-11-19(15(3)4)20(18)22-21(23)17-9-6-8-16(12-17)13-24-5/h6-12,14-15H,13H2,1-5H3,(H,22,23)
InChIKeyMXVXCVRRMJZUTM-UHFFFAOYSA-N
XLogP5.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide
CID 134045690
1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109052582
(2S,3R)-3-hydroxy-2-[[3-(methoxymethyl)benzoyl]amino]butanoic acid
CID 104964995
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
N-(3-iodophenyl)-3-(methoxymethyl)benzamide
CID 7603133
N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide
CID 113199333
(2S)-2-[[3-(methoxymethyl)benzoyl]amino]-3-methylpentanoic acid
CID 61172026
3-(methoxymethyl)-N-propylbenzamide
CID 60667721

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide (CID 8777185) is N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide?
The InChIKey is MXVXCVRRMJZUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-14(2)18-10-7-11-19(15(3)4)20(18)22-21(23)17-9-6-8-16(12-17)13-24-5/h6-12,14-15H,13H2,1-5H3,(H,22,23).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide?
N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide has a molecular weight of 325.45 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 8777185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).