3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium

C14H27NO6V — CID 177358681

IUPAC3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
SMILESCC(C)C(=O)COCCOCCNC(=O)CCOCCO.[V]
InChIInChI=1S/C14H27NO6.V/c1-12(2)13(17)11-21-10-9-20-7-4-15-14(18)3-6-19-8-5-16;/h12,16H,3-11H2,1-2H3,(H,15,18);
InChIKeyKEPFYIPLQKBTJC-UHFFFAOYSA-N
MW356.32 g/mol
LogP-0.24
Rot. Bonds14

About 3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium

3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium (PubChem CID 177358681) has the molecular formula C14H27NO6V and a molecular weight of 356.32 g/mol. Its IUPAC name is 3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium.

Molecular Properties

Compound Name3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
PubChem CID177358681
Molecular FormulaC14H27NO6V
Molecular Weight356.32 g/mol
Exact Mass356.13
IUPAC Name3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
SMILESCC(C)C(=O)COCCOCCNC(=O)CCOCCO.[V]
InChIInChI=1S/C14H27NO6.V/c1-12(2)13(17)11-21-10-9-20-7-4-15-14(18)3-6-19-8-5-16;/h12,16H,3-11H2,1-2H3,(H,15,18);
InChIKeyKEPFYIPLQKBTJC-UHFFFAOYSA-N
XLogP-0.24
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 5-0.24
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

3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159557
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide
CID 169159646
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 137432077
3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(3-methyl-2-oxobutoxy)ethyl]propanamide
CID 170223089
N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide
CID 155739597
5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide
CID 170583801
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide
CID 170116965
3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 163953950
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium?
The IUPAC name of 3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium (CID 177358681) is 3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium.
What is the SMILES notation for 3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium?
The canonical SMILES for 3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium is CC(C)C(=O)COCCOCCNC(=O)CCOCCO.[V].
What is the InChIKey of 3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium?
The InChIKey is KEPFYIPLQKBTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO6.V/c1-12(2)13(17)11-21-10-9-20-7-4-15-14(18)3-6-19-8-5-16;/h12,16H,3-11H2,1-2H3,(H,15,18);.
What are the key properties of 3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium?
3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium has a molecular weight of 356.32 g/mol, XLogP of -0.24, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium is sourced from PubChem (CID 177358681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).