N-[5-methyl-5-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethylamino]-4-oxoheptyl]acetamide

C21H40N2O5 — CID 142338811

IUPACN-[5-methyl-5-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethylamino]-4-oxoheptyl]acetamide
SMILESCCC(C)C(=O)CCOCCOCCNC(C)(CC)C(=O)CCCNC(C)=O
InChIInChI=1S/C21H40N2O5/c1-6-17(3)19(25)10-13-27-15-16-28-14-12-23-21(5,7-2)20(26)9-8-11-22-18(4)24/h17,23H,6-16H2,1-5H3,(H,22,24)
InChIKeyHILSVXAZVNMXIO-UHFFFAOYSA-N
MW400.56 g/mol
LogP2.27
Rot. Bonds18

About N-[5-methyl-5-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethylamino]-4-oxoheptyl]acetamide

N-[5-methyl-5-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethylamino]-4-oxoheptyl]acetamide (PubChem CID 142338811) has the molecular formula C21H40N2O5 and a molecular weight of 400.56 g/mol. Its IUPAC name is N-[5-methyl-5-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethylamino]-4-oxoheptyl]acetamide.

Molecular Properties

Compound NameN-[5-methyl-5-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethylamino]-4-oxoheptyl]acetamide
PubChem CID142338811
Molecular FormulaC21H40N2O5
Molecular Weight400.56 g/mol
Exact Mass400.29
IUPAC NameN-[5-methyl-5-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethylamino]-4-oxoheptyl]acetamide
SMILESCCC(C)C(=O)CCOCCOCCNC(C)(CC)C(=O)CCCNC(C)=O
InChIInChI=1S/C21H40N2O5/c1-6-17(3)19(25)10-13-27-15-16-28-14-12-23-21(5,7-2)20(26)9-8-11-22-18(4)24/h17,23H,6-16H2,1-5H3,(H,22,24)
InChIKeyHILSVXAZVNMXIO-UHFFFAOYSA-N
XLogP2.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 176577667
3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 138721605
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
2-[2-(2-methoxyethoxy)ethylamino]-2-methylbutanoic acid
CID 78977075
N-[2-[2-[2-(5,5-dimethyl-3-oxohexoxy)ethoxy]ethoxy]ethyl]acetamide
CID 163518990
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462
N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide
CID 153390509
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 71244238
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
CID 176714971
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
4-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 177194352

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-5-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethylamino]-4-oxoheptyl]acetamide?
The IUPAC name of N-[5-methyl-5-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethylamino]-4-oxoheptyl]acetamide (CID 142338811) is N-[5-methyl-5-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethylamino]-4-oxoheptyl]acetamide.
What is the SMILES notation for N-[5-methyl-5-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethylamino]-4-oxoheptyl]acetamide?
The canonical SMILES for N-[5-methyl-5-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethylamino]-4-oxoheptyl]acetamide is CCC(C)C(=O)CCOCCOCCNC(C)(CC)C(=O)CCCNC(C)=O.
What is the InChIKey of N-[5-methyl-5-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethylamino]-4-oxoheptyl]acetamide?
The InChIKey is HILSVXAZVNMXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O5/c1-6-17(3)19(25)10-13-27-15-16-28-14-12-23-21(5,7-2)20(26)9-8-11-22-18(4)24/h17,23H,6-16H2,1-5H3,(H,22,24).
What are the key properties of N-[5-methyl-5-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethylamino]-4-oxoheptyl]acetamide?
N-[5-methyl-5-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethylamino]-4-oxoheptyl]acetamide has a molecular weight of 400.56 g/mol, XLogP of 2.27, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-5-[2-[2-(4-methyl-3-oxohexoxy)ethoxy]ethylamino]-4-oxoheptyl]acetamide is sourced from PubChem (CID 142338811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).