N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide

C11H22N2O3 — CID 115749275

IUPACN-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide
SMILESCCNC(=O)CN(C)CC1(O)CCOCC1
InChIInChI=1S/C11H22N2O3/c1-3-12-10(14)8-13(2)9-11(15)4-6-16-7-5-11/h15H,3-9H2,1-2H3,(H,12,14)
InChIKeyVFBAICYUCPHXPB-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.40
Rot. Bonds5

About N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide

N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide (PubChem CID 115749275) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide
PubChem CID115749275
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide
SMILESCCNC(=O)CN(C)CC1(O)CCOCC1
InChIInChI=1S/C11H22N2O3/c1-3-12-10(14)8-13(2)9-11(15)4-6-16-7-5-11/h15H,3-9H2,1-2H3,(H,12,14)
InChIKeyVFBAICYUCPHXPB-UHFFFAOYSA-N
XLogP-0.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 114952829
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 114952955
ethyl 2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]prop-2-enoate
CID 114950217
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol
CID 103071417
N-(2-cyanoethyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-methylacetamide
CID 114949349
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide
CID 115758597
N-ethyl-2-[ethyl(methyl)amino]acetamide;hydrochloride
CID 130736747
3-amino-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114951120
4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283
methyl 2-bromo-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanoate
CID 114950227

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide (CID 115749275) is N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide is CCNC(=O)CN(C)CC1(O)CCOCC1.
What is the InChIKey of N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide?
The InChIKey is VFBAICYUCPHXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-12-10(14)8-13(2)9-11(15)4-6-16-7-5-11/h15H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide?
N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide has a molecular weight of 230.31 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 115749275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).