2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide

C21H26N2O3 — CID 75385769

IUPAC2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)c2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)18-9-7-6-8-17(18)20(25)22-15-10-12-16(13-11-15)26-14-19(24)23(4)5/h6-13H,14H2,1-5H3,(H,22,25)
InChIKeyZWRRVNMILQFILQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.70
Rot. Bonds5

About 2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide

2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide (PubChem CID 75385769) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide
PubChem CID75385769
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)c2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)18-9-7-6-8-17(18)20(25)22-15-10-12-16(13-11-15)26-14-19(24)23(4)5/h6-13H,14H2,1-5H3,(H,22,25)
InChIKeyZWRRVNMILQFILQ-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide
CID 32944118
2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-methoxyphenyl)benzamide
CID 34815754
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(3,4-dimethylbenzoyl)benzamide
CID 33259015
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,3-dimethylbutanamide
CID 32943486
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 32943769
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
CID 32943144
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 32945841
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide
CID 134010341
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-propan-2-ylbenzamide
CID 32943301
3-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-benzothiophene-2-carboxamide
CID 32943736
2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide
CID 30860063

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of 2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide (CID 75385769) is 2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for 2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for 2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide is CN(C)C(=O)COc1ccc(NC(=O)c2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is ZWRRVNMILQFILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2,3)18-9-7-6-8-17(18)20(25)22-15-10-12-16(13-11-15)26-14-19(24)23(4)5/h6-13H,14H2,1-5H3,(H,22,25).
What are the key properties of 2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide?
2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 75385769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).