2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide

C21H25ClN2O3 — CID 113170654

IUPAC2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2ccc(C(C)(C)C)cc2)cc1Cl
InChIInChI=1S/C21H25ClN2O3/c1-14(25)24(17-9-6-15(7-10-17)21(2,3)4)13-20(26)23-16-8-11-19(27-5)18(22)12-16/h6-12H,13H2,1-5H3,(H,23,26)
InChIKeyKOJJKXYOCQNLOC-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.64
Rot. Bonds5

About 2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide

2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 113170654) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID113170654
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2ccc(C(C)(C)C)cc2)cc1Cl
InChIInChI=1S/C21H25ClN2O3/c1-14(25)24(17-9-6-15(7-10-17)21(2,3)4)13-20(26)23-16-8-11-19(27-5)18(22)12-16/h6-12H,13H2,1-5H3,(H,23,26)
InChIKeyKOJJKXYOCQNLOC-UHFFFAOYSA-N
XLogP4.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide
CID 113172756
2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167201
2-(N-acetyl-4-ethylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113169343
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 113172743
2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide
CID 113173405
2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide
CID 113169317
3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113135127
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113168356
3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113122543
2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113158934
2-(N-acetyl-4-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113181129
N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108955403

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide (CID 113170654) is 2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C(C)=O)c2ccc(C(C)(C)C)cc2)cc1Cl.
What is the InChIKey of 2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is KOJJKXYOCQNLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-14(25)24(17-9-6-15(7-10-17)21(2,3)4)13-20(26)23-16-8-11-19(27-5)18(22)12-16/h6-12H,13H2,1-5H3,(H,23,26).
What are the key properties of 2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide?
2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 388.90 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 113170654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).