N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide

C8H16N2O2 — CID 170608678

IUPACN-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(C)CCO1
InChIInChI=1S/C8H16N2O2/c1-7(11)9-5-8-6-10(2)3-4-12-8/h8H,3-6H2,1-2H3,(H,9,11)/t8-/m0/s1
InChIKeyWFBNSPMQKUEAPZ-QMMMGPOBSA-N
MW172.23 g/mol
LogP-0.55
Rot. Bonds2

About N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide

N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide (PubChem CID 170608678) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
PubChem CID170608678
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(C)CCO1
InChIInChI=1S/C8H16N2O2/c1-7(11)9-5-8-6-10(2)3-4-12-8/h8H,3-6H2,1-2H3,(H,9,11)/t8-/m0/s1
InChIKeyWFBNSPMQKUEAPZ-QMMMGPOBSA-N
XLogP-0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 49094753
1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 110747047
2-(azetidin-3-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 79083364
2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
CID 103498729
2-amino-N-[2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoethyl]acetamide
CID 79082878
1-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79082482
2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79082924
4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79081947
4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide
CID 115295108

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide (CID 170608678) is N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(C)CCO1.
What is the InChIKey of N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide?
The InChIKey is WFBNSPMQKUEAPZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(11)9-5-8-6-10(2)3-4-12-8/h8H,3-6H2,1-2H3,(H,9,11)/t8-/m0/s1.
What are the key properties of N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide?
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide has a molecular weight of 172.23 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 170608678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).