N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide

C22H28N2O3 — CID 113060452

IUPACN-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
SMILESCOc1ccccc1N(CCNC(=O)c1ccc(C(C)(C)C)cc1)C(C)=O
InChIInChI=1S/C22H28N2O3/c1-16(25)24(19-8-6-7-9-20(19)27-5)15-14-23-21(26)17-10-12-18(13-11-17)22(2,3)4/h6-13H,14-15H2,1-5H3,(H,23,26)
InChIKeyTUQIIIRRDWSYFV-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide

N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide (PubChem CID 113060452) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
PubChem CID113060452
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
SMILESCOc1ccccc1N(CCNC(=O)c1ccc(C(C)(C)C)cc1)C(C)=O
InChIInChI=1S/C22H28N2O3/c1-16(25)24(19-8-6-7-9-20(19)27-5)15-14-23-21(26)17-10-12-18(13-11-17)22(2,3)4/h6-13H,14-15H2,1-5H3,(H,23,26)
InChIKeyTUQIIIRRDWSYFV-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide
CID 113059185
methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate
CID 113060483
N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide
CID 113063434
N-[2-(N-acetyl-2-methoxyanilino)ethyl]furan-2-carboxamide
CID 113060433
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide
CID 113060774
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
CID 113060279
N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113060962
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060301
methyl 2-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061889
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113059429
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059182
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide?
The IUPAC name of N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide (CID 113060452) is N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide is COc1ccccc1N(CCNC(=O)c1ccc(C(C)(C)C)cc1)C(C)=O.
What is the InChIKey of N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide?
The InChIKey is TUQIIIRRDWSYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(25)24(19-8-6-7-9-20(19)27-5)15-14-23-21(26)17-10-12-18(13-11-17)22(2,3)4/h6-13H,14-15H2,1-5H3,(H,23,26).
What are the key properties of N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide?
N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide has a molecular weight of 368.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide is sourced from PubChem (CID 113060452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).