2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide

C28H40N2O4 — CID 17233348

IUPAC2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)NCCCCCCCCNC(=O)COc2cc(C)ccc2C)c1
InChIInChI=1S/C28H40N2O4/c1-21-11-13-23(3)25(17-21)33-19-27(31)29-15-9-7-5-6-8-10-16-30-28(32)20-34-26-18-22(2)12-14-24(26)4/h11-14,17-18H,5-10,15-16,19-20H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyKNDPBIHWSHZFHT-UHFFFAOYSA-N
MW468.64 g/mol
LogP4.95
Rot. Bonds15

About 2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide

2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide (PubChem CID 17233348) has the molecular formula C28H40N2O4 and a molecular weight of 468.64 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
PubChem CID17233348
Molecular FormulaC28H40N2O4
Molecular Weight468.64 g/mol
Exact Mass468.30
IUPAC Name2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)NCCCCCCCCNC(=O)COc2cc(C)ccc2C)c1
InChIInChI=1S/C28H40N2O4/c1-21-11-13-23(3)25(17-21)33-19-27(31)29-15-9-7-5-6-8-10-16-30-28(32)20-34-26-18-22(2)12-14-24(26)4/h11-14,17-18H,5-10,15-16,19-20H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyKNDPBIHWSHZFHT-UHFFFAOYSA-N
XLogP4.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 163329160
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(2,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391088
N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119497986
3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318602
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 66168097
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81368937
2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 45293171
2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide
CID 95328309

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide (CID 17233348) is 2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide is Cc1ccc(C)c(OCC(=O)NCCCCCCCCNC(=O)COc2cc(C)ccc2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide?
The InChIKey is KNDPBIHWSHZFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O4/c1-21-11-13-23(3)25(17-21)33-19-27(31)29-15-9-7-5-6-8-10-16-30-28(32)20-34-26-18-22(2)12-14-24(26)4/h11-14,17-18H,5-10,15-16,19-20H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide has a molecular weight of 468.64 g/mol, XLogP of 4.95, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide is sourced from PubChem (CID 17233348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).