N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide

C21H26N2O4 — CID 24633483

IUPACN-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NCC(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O4/c1-15-5-7-17(8-6-15)27-18-11-9-16(10-12-18)26-14-20(25)22-13-19(24)23-21(2,3)4/h5-12H,13-14H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyKPGLHJYFEOBXCS-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.20
Rot. Bonds7

About N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide

N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide (PubChem CID 24633483) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide
PubChem CID24633483
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NCC(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O4/c1-15-5-7-17(8-6-15)27-18-11-9-16(10-12-18)26-14-20(25)22-13-19(24)23-21(2,3)4/h5-12H,13-14H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyKPGLHJYFEOBXCS-UHFFFAOYSA-N
XLogP3.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide
CID 3108520
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide
CID 115636840
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24667225
N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 78855960
N-tert-butyl-2-[[2-(3-fluorophenoxy)acetyl]amino]acetamide
CID 41276805
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225
(3-methylphenyl) 2-[[2-(4-methylphenoxy)acetyl]amino]acetate
CID 110670431
2-[[2-(4-phenoxyphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26080587
N-(2,3-dimethylphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 27808986

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide (CID 24633483) is N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide is Cc1ccc(Oc2ccc(OCC(=O)NCC(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide?
The InChIKey is KPGLHJYFEOBXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-5-7-17(8-6-15)27-18-11-9-16(10-12-18)26-14-20(25)22-13-19(24)23-21(2,3)4/h5-12H,13-14H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide?
N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide is sourced from PubChem (CID 24633483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).