2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide

C19H37NO6 — CID 176577667

IUPAC2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
SMILESCCC(C)C(=O)NCCOCCOCCOCCOCCC(=O)C(C)C
InChIInChI=1S/C19H37NO6/c1-5-17(4)19(22)20-7-9-24-11-13-26-15-14-25-12-10-23-8-6-18(21)16(2)3/h16-17H,5-15H2,1-4H3,(H,20,22)
InChIKeyXCRUXWKOGVWPDG-UHFFFAOYSA-N
MW375.51 g/mol
LogP1.83
Rot. Bonds18

About 2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide

2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide (PubChem CID 176577667) has the molecular formula C19H37NO6 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
PubChem CID176577667
Molecular FormulaC19H37NO6
Molecular Weight375.51 g/mol
Exact Mass375.26
IUPAC Name2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
SMILESCCC(C)C(=O)NCCOCCOCCOCCOCCC(=O)C(C)C
InChIInChI=1S/C19H37NO6/c1-5-17(4)19(22)20-7-9-24-11-13-26-15-14-25-12-10-23-8-6-18(21)16(2)3/h16-17H,5-15H2,1-4H3,(H,20,22)
InChIKeyXCRUXWKOGVWPDG-UHFFFAOYSA-N
XLogP1.83
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 51.83
H-Bond Donors ≤ 51
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-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 163401188
3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 138721605
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
4-methyl-1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]pentan-3-one
CID 135299160
propan-2-yl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate
CID 169024379
4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one
CID 140823499
2-methyl-N-(2-pentoxyethyl)butanamide
CID 170952196
5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide
CID 162740350
2-methyl-N-[2-(4-methylpentoxy)ethyl]butanamide
CID 156530460
4-methyl-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 176650799
N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide
CID 121480756
2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate
CID 134572737

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The IUPAC name of 2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide (CID 176577667) is 2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide is CCC(C)C(=O)NCCOCCOCCOCCOCCC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The InChIKey is XCRUXWKOGVWPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO6/c1-5-17(4)19(22)20-7-9-24-11-13-26-15-14-25-12-10-23-8-6-18(21)16(2)3/h16-17H,5-15H2,1-4H3,(H,20,22).
What are the key properties of 2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide?
2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 375.51 g/mol, XLogP of 1.83, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 176577667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).