2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide

C13H27N3O2 — CID 78945150

IUPAC2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCC1CN(C)CCO1
InChIInChI=1S/C13H27N3O2/c1-4-11(5-2)15-13(17)9-14-8-12-10-16(3)6-7-18-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyUVZJKROCLRYDQS-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.21
Rot. Bonds7

About 2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide

2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide (PubChem CID 78945150) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide
PubChem CID78945150
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCC1CN(C)CCO1
InChIInChI=1S/C13H27N3O2/c1-4-11(5-2)15-13(17)9-14-8-12-10-16(3)6-7-18-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyUVZJKROCLRYDQS-UHFFFAOYSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78945317
2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78945295
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]acetamide
CID 95336812
N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 79172289
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 63897251
2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine
CID 97045075
N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78960546
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butan-1-amine
CID 75356165
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]acetamide
CID 95311551
N-(2,6-dichlorophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78960893
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 56802966
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide (CID 78945150) is 2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNCC1CN(C)CCO1.
What is the InChIKey of 2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide?
The InChIKey is UVZJKROCLRYDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-11(5-2)15-13(17)9-14-8-12-10-16(3)6-7-18-12/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide?
2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide has a molecular weight of 257.38 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 78945150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).