ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide

C18H38N2O3 — CID 142616120

IUPACethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
SMILESCC.CCCCCOCCN1CCOC(CNC(=O)C(C)C)C1
InChIInChI=1S/C16H32N2O3.C2H6/c1-4-5-6-9-20-10-7-18-8-11-21-15(13-18)12-17-16(19)14(2)3;1-2/h14-15H,4-13H2,1-3H3,(H,17,19);1-2H3
InChIKeyIFTOBHHFTNUVEE-UHFFFAOYSA-N
MW330.51 g/mol
LogP2.69
Rot. Bonds10

About ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide

ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide (PubChem CID 142616120) has the molecular formula C18H38N2O3 and a molecular weight of 330.51 g/mol. Its IUPAC name is ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide.

Molecular Properties

Compound Nameethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
PubChem CID142616120
Molecular FormulaC18H38N2O3
Molecular Weight330.51 g/mol
Exact Mass330.29
IUPAC Nameethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
SMILESCC.CCCCCOCCN1CCOC(CNC(=O)C(C)C)C1
InChIInChI=1S/C16H32N2O3.C2H6/c1-4-5-6-9-20-10-7-18-8-11-21-15(13-18)12-17-16(19)14(2)3;1-2/h14-15H,4-13H2,1-3H3,(H,17,19);1-2H3
InChIKeyIFTOBHHFTNUVEE-UHFFFAOYSA-N
XLogP2.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide?
The IUPAC name of ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide (CID 142616120) is ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide.
What is the SMILES notation for ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide?
The canonical SMILES for ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide is CC.CCCCCOCCN1CCOC(CNC(=O)C(C)C)C1.
What is the InChIKey of ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide?
The InChIKey is IFTOBHHFTNUVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3.C2H6/c1-4-5-6-9-20-10-7-18-8-11-21-15(13-18)12-17-16(19)14(2)3;1-2/h14-15H,4-13H2,1-3H3,(H,17,19);1-2H3.
What are the key properties of ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide?
ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide has a molecular weight of 330.51 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide is sourced from PubChem (CID 142616120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).