N-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide

C28H40N2O8 — CID 135216825

IUPACN-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide
SMILESCNC(=O)COCCOCCOCCOc1ccc(C)cc1-c1cc(C)ccc1OCCOCC(=O)NC
InChIInChI=1S/C28H40N2O8/c1-21-5-7-25(37-15-13-34-10-9-33-11-12-35-19-27(31)29-3)23(17-21)24-18-22(2)6-8-26(24)38-16-14-36-20-28(32)30-4/h5-8,17-18H,9-16,19-20H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyPCDASKVLLNSYMW-UHFFFAOYSA-N
MW532.63 g/mol
LogP2.29
Rot. Bonds19

About N-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide

N-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide (PubChem CID 135216825) has the molecular formula C28H40N2O8 and a molecular weight of 532.63 g/mol. Its IUPAC name is N-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide
PubChem CID135216825
Molecular FormulaC28H40N2O8
Molecular Weight532.63 g/mol
Exact Mass532.28
IUPAC NameN-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide
SMILESCNC(=O)COCCOCCOCCOc1ccc(C)cc1-c1cc(C)ccc1OCCOCC(=O)NC
InChIInChI=1S/C28H40N2O8/c1-21-5-7-25(37-15-13-34-10-9-33-11-12-35-19-27(31)29-3)23(17-21)24-18-22(2)6-8-26(24)38-16-14-36-20-28(32)30-4/h5-8,17-18H,9-16,19-20H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyPCDASKVLLNSYMW-UHFFFAOYSA-N
XLogP2.29
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.63
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
CID 146179403
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
N-ethyl-2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetamide
CID 161317067
N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide
CID 134582626
2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate
CID 163667516
N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide
CID 134579946
2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide
CID 22961397
N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide
CID 134579947
2-[2-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethoxy]ethoxy]acetic acid
CID 161317064
4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide
CID 63891424
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethanol
CID 61075702

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide?
The IUPAC name of N-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide (CID 135216825) is N-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide.
What is the SMILES notation for N-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide?
The canonical SMILES for N-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide is CNC(=O)COCCOCCOCCOc1ccc(C)cc1-c1cc(C)ccc1OCCOCC(=O)NC.
What is the InChIKey of N-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide?
The InChIKey is PCDASKVLLNSYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O8/c1-21-5-7-25(37-15-13-34-10-9-33-11-12-35-19-27(31)29-3)23(17-21)24-18-22(2)6-8-26(24)38-16-14-36-20-28(32)30-4/h5-8,17-18H,9-16,19-20H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of N-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide?
N-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide has a molecular weight of 532.63 g/mol, XLogP of 2.29, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide is sourced from PubChem (CID 135216825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).