N-[2-[2-[2-[2-[butyl(2-oxoethyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylbutanamide;ethane;methanol

C27H62N2O6 — CID 170576636

IUPACN-[2-[2-[2-[2-[butyl(2-oxoethyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylbutanamide;ethane;methanol
SMILESCC.CC.CC.CCCCN(CC=O)CCOCCOCCOCCNC(=O)C(C)(C)CC.CO
InChIInChI=1S/C20H40N2O5.3C2H6.CH4O/c1-5-7-9-22(10-12-23)11-14-26-16-18-27-17-15-25-13-8-21-19(24)20(3,4)6-2;4*1-2/h12H,5-11,13-18H2,1-4H3,(H,21,24);3*1-2H3;2H,1H3
InChIKeyYXCPBGBTQMLTBU-UHFFFAOYSA-N
MW510.80 g/mol
LogP4.58
Rot. Bonds19

About N-[2-[2-[2-[2-[butyl(2-oxoethyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylbutanamide;ethane;methanol

N-[2-[2-[2-[2-[butyl(2-oxoethyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylbutanamide;ethane;methanol (PubChem CID 170576636) has the molecular formula C27H62N2O6 and a molecular weight of 510.80 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[butyl(2-oxoethyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylbutanamide;ethane;methanol.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[butyl(2-oxoethyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylbutanamide;ethane;methanol
PubChem CID170576636
Molecular FormulaC27H62N2O6
Molecular Weight510.80 g/mol
Exact Mass510.46
IUPAC NameN-[2-[2-[2-[2-[butyl(2-oxoethyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylbutanamide;ethane;methanol
SMILESCC.CC.CC.CCCCN(CC=O)CCOCCOCCOCCNC(=O)C(C)(C)CC.CO
InChIInChI=1S/C20H40N2O5.3C2H6.CH4O/c1-5-7-9-22(10-12-23)11-14-26-16-18-27-17-15-25-13-8-21-19(24)20(3,4)6-2;4*1-2/h12H,5-11,13-18H2,1-4H3,(H,21,24);3*1-2H3;2H,1H3
InChIKeyYXCPBGBTQMLTBU-UHFFFAOYSA-N
XLogP4.58
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.80
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate
CID 170223606
N-(2-butoxyethyl)-2-methyl-2-(methylamino)propanamide
CID 62847103
2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide
CID 172626027
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
2,2-dimethyl-3-propoxy-N-propylpropanamide
CID 164771846
N-[2-[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl]-2,2-dimethylbutanamide
CID 162202640
2-[2-[2-[2-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethanol
CID 134252023
2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
CID 145210953
ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
CID 170639867
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetamide
CID 168986576

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[butyl(2-oxoethyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylbutanamide;ethane;methanol?
The IUPAC name of N-[2-[2-[2-[2-[butyl(2-oxoethyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylbutanamide;ethane;methanol (CID 170576636) is N-[2-[2-[2-[2-[butyl(2-oxoethyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylbutanamide;ethane;methanol.
What is the SMILES notation for N-[2-[2-[2-[2-[butyl(2-oxoethyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylbutanamide;ethane;methanol?
The canonical SMILES for N-[2-[2-[2-[2-[butyl(2-oxoethyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylbutanamide;ethane;methanol is CC.CC.CC.CCCCN(CC=O)CCOCCOCCOCCNC(=O)C(C)(C)CC.CO.
What is the InChIKey of N-[2-[2-[2-[2-[butyl(2-oxoethyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylbutanamide;ethane;methanol?
The InChIKey is YXCPBGBTQMLTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O5.3C2H6.CH4O/c1-5-7-9-22(10-12-23)11-14-26-16-18-27-17-15-25-13-8-21-19(24)20(3,4)6-2;4*1-2/h12H,5-11,13-18H2,1-4H3,(H,21,24);3*1-2H3;2H,1H3.
What are the key properties of N-[2-[2-[2-[2-[butyl(2-oxoethyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylbutanamide;ethane;methanol?
N-[2-[2-[2-[2-[butyl(2-oxoethyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylbutanamide;ethane;methanol has a molecular weight of 510.80 g/mol, XLogP of 4.58, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[butyl(2-oxoethyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylbutanamide;ethane;methanol is sourced from PubChem (CID 170576636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).