4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide

C25H42N2O7 — CID 169316843

IUPAC4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide
SMILESCC(C)COCc1ccc(C(=O)NCCOCCOCCOCCNC(=O)COC(C)C)cc1
InChIInChI=1S/C25H42N2O7/c1-20(2)17-33-18-22-5-7-23(8-6-22)25(29)27-10-12-31-14-16-32-15-13-30-11-9-26-24(28)19-34-21(3)4/h5-8,20-21H,9-19H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyIHNZAQYHZQAYOB-UHFFFAOYSA-N
MW482.62 g/mol
LogP2.18
Rot. Bonds20

About 4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide

4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide (PubChem CID 169316843) has the molecular formula C25H42N2O7 and a molecular weight of 482.62 g/mol. Its IUPAC name is 4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide
PubChem CID169316843
Molecular FormulaC25H42N2O7
Molecular Weight482.62 g/mol
Exact Mass482.30
IUPAC Name4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide
SMILESCC(C)COCc1ccc(C(=O)NCCOCCOCCOCCNC(=O)COC(C)C)cc1
InChIInChI=1S/C25H42N2O7/c1-20(2)17-33-18-22-5-7-23(8-6-22)25(29)27-10-12-31-14-16-32-15-13-30-11-9-26-24(28)19-34-21(3)4/h5-8,20-21H,9-19H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyIHNZAQYHZQAYOB-UHFFFAOYSA-N
XLogP2.18
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
CID 142616578
S-methyl 6-[[4-(2-methylpropoxymethyl)benzoyl]amino]hexanethioate
CID 166694909
4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide
CID 172602747
N-[2-(2-acetamidoethoxy)ethyl]-2-propan-2-yloxyacetamide
CID 142616646
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104759817
N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide
CID 103877317
N-[2-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide
CID 157074659
1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen
CID 166130832
N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide
CID 115590077
N-[2-[2-[2-[2-(methylsulfanylmethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
CID 138728417
N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 115950038
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide
CID 108574844

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide?
The IUPAC name of 4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide (CID 169316843) is 4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide.
What is the SMILES notation for 4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide?
The canonical SMILES for 4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide is CC(C)COCc1ccc(C(=O)NCCOCCOCCOCCNC(=O)COC(C)C)cc1.
What is the InChIKey of 4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide?
The InChIKey is IHNZAQYHZQAYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2O7/c1-20(2)17-33-18-22-5-7-23(8-6-22)25(29)27-10-12-31-14-16-32-15-13-30-11-9-26-24(28)19-34-21(3)4/h5-8,20-21H,9-19H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of 4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide?
4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide has a molecular weight of 482.62 g/mol, XLogP of 2.18, 20 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxymethyl)-N-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide is sourced from PubChem (CID 169316843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).