N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide

C13H26N2O3 — CID 156795250

IUPACN-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide
SMILESCCCCCOCCN1CCOC(CNC=O)C1
InChIInChI=1S/C13H26N2O3/c1-2-3-4-7-17-8-5-15-6-9-18-13(11-15)10-14-12-16/h12-13H,2-11H2,1H3,(H,14,16)
InChIKeyAYACLZOXZXJJNA-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.64
Rot. Bonds10

About N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide

N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide (PubChem CID 156795250) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide
PubChem CID156795250
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide
SMILESCCCCCOCCN1CCOC(CNC=O)C1
InChIInChI=1S/C13H26N2O3/c1-2-3-4-7-17-8-5-15-6-9-18-13(11-15)10-14-12-16/h12-13H,2-11H2,1H3,(H,14,16)
InChIKeyAYACLZOXZXJJNA-UHFFFAOYSA-N
XLogP0.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(4-propylmorpholin-2-yl)methyl]formamide
CID 142615985
2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 138727702
ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 142616120
N-[[4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 163400398
N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]ethanamine
CID 155404677
N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]butan-1-amine
CID 171540678
N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide
CID 156523761
ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 176933389
N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide
CID 166800924
N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine
CID 166800930
N-[[(2R)-4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]acetamide
CID 156802663
N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide
CID 166118448

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide?
The IUPAC name of N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide (CID 156795250) is N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide.
What is the SMILES notation for N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide?
The canonical SMILES for N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide is CCCCCOCCN1CCOC(CNC=O)C1.
What is the InChIKey of N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide?
The InChIKey is AYACLZOXZXJJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-2-3-4-7-17-8-5-15-6-9-18-13(11-15)10-14-12-16/h12-13H,2-11H2,1H3,(H,14,16).
What are the key properties of N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide?
N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide has a molecular weight of 258.36 g/mol, XLogP of 0.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide is sourced from PubChem (CID 156795250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).