2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide

C16H26N2O2 — CID 47075327

IUPAC2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CCOC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-13-6-8-14(9-7-13)17-15(19)12-18(5)10-11-20-16(2,3)4/h6-9H,10-12H2,1-5H3,(H,17,19)
InChIKeyNTSCRNUHTNYXMQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.68
Rot. Bonds6

About 2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 47075327) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID47075327
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CCOC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-13-6-8-14(9-7-13)17-15(19)12-18(5)10-11-20-16(2,3)4/h6-9H,10-12H2,1-5H3,(H,17,19)
InChIKeyNTSCRNUHTNYXMQ-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 110931433
2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 111496814
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8729751
N-(4-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8785343
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 18094879
2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 62822506
2-[acetyl(tert-butyl)amino]-N-(4-methylphenyl)acetamide
CID 113166147
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
tert-butyl 4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 51131918
2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8785766
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729092

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide (CID 47075327) is 2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CCOC(C)(C)C)cc1.
What is the InChIKey of 2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is NTSCRNUHTNYXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-6-8-14(9-7-13)17-15(19)12-18(5)10-11-20-16(2,3)4/h6-9H,10-12H2,1-5H3,(H,17,19).
What are the key properties of 2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 47075327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).