2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide

C21H28N2O2 — CID 54813449

IUPAC2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
SMILESCc1cc(C)cc(NCC(=O)Nc2ccc(OCCC(C)C)cc2)c1
InChIInChI=1S/C21H28N2O2/c1-15(2)9-10-25-20-7-5-18(6-8-20)23-21(24)14-22-19-12-16(3)11-17(4)13-19/h5-8,11-13,15,22H,9-10,14H2,1-4H3,(H,23,24)
InChIKeyDEHILLCEFGMHAN-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.78
Rot. Bonds8

About 2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide

2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide (PubChem CID 54813449) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
PubChem CID54813449
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
SMILESCc1cc(C)cc(NCC(=O)Nc2ccc(OCCC(C)C)cc2)c1
InChIInChI=1S/C21H28N2O2/c1-15(2)9-10-25-20-7-5-18(6-8-20)23-21(24)14-22-19-12-16(3)11-17(4)13-19/h5-8,11-13,15,22H,9-10,14H2,1-4H3,(H,23,24)
InChIKeyDEHILLCEFGMHAN-UHFFFAOYSA-N
XLogP4.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830470
N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide
CID 54821699
2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide
CID 54813396
2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54809291
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54819290
methyl 3-[4-(3-methylbutoxy)anilino]-3-oxopropanoate
CID 28638022
N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834708
N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825133
2-bromo-N-[4-[4-(3-methylbutoxy)anilino]phenyl]acetamide
CID 24832146

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide (CID 54813449) is 2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide is Cc1cc(C)cc(NCC(=O)Nc2ccc(OCCC(C)C)cc2)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The InChIKey is DEHILLCEFGMHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15(2)9-10-25-20-7-5-18(6-8-20)23-21(24)14-22-19-12-16(3)11-17(4)13-19/h5-8,11-13,15,22H,9-10,14H2,1-4H3,(H,23,24).
What are the key properties of 2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide is sourced from PubChem (CID 54813449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).