N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide

C21H26N2O2 — CID 112997518

IUPACN-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C21H26N2O2/c1-15-9-5-6-10-16(15)13-19(24)22-14-20(25)23-18-12-8-7-11-17(18)21(2,3)4/h5-12H,13-14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyWYONCKOMKCJWEG-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide

N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide (PubChem CID 112997518) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
PubChem CID112997518
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C21H26N2O2/c1-15-9-5-6-10-16(15)13-19(24)22-14-20(25)23-18-12-8-7-11-17(18)21(2,3)4/h5-12H,13-14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyWYONCKOMKCJWEG-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)acetyl]amino]phenyl]acetamide
CID 26164464
N-[2-(2-ethoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998801
N-(2-tert-butylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide
CID 108997968
N-[2-(2-tert-butylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 112997491
tert-butyl N-[2-[2-[[[2-(2-methylphenyl)acetyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918147
N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 112997506
N-(2-tert-butylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112997501
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642
N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78912848
2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 2236832
N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945471
ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate
CID 26163301

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide (CID 112997518) is N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is WYONCKOMKCJWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-9-5-6-10-16(15)13-19(24)22-14-20(25)23-18-12-8-7-11-17(18)21(2,3)4/h5-12H,13-14H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide?
N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 112997518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).