N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide

C13H27N3O2 — CID 78945317

IUPACN-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
SMILESCC(C)C(C)NC(=O)CNCC1CN(C)CCO1
InChIInChI=1S/C13H27N3O2/c1-10(2)11(3)15-13(17)8-14-7-12-9-16(4)5-6-18-12/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyUKXPQCIAPXFSMF-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.07
Rot. Bonds6

About N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide

N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide (PubChem CID 78945317) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
PubChem CID78945317
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
SMILESCC(C)C(C)NC(=O)CNCC1CN(C)CCO1
InChIInChI=1S/C13H27N3O2/c1-10(2)11(3)15-13(17)8-14-7-12-9-16(4)5-6-18-12/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyUKXPQCIAPXFSMF-UHFFFAOYSA-N
XLogP0.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 78945150
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]acetamide
CID 95336812
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]acetamide
CID 95311551
2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78945295
N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 79172289
N-(3-methylbutan-2-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712550
N-(4-bromophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78960546
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
N-(2,6-dichlorophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78960893
2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 106133186
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 N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide (CID 78945317) is N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide is CC(C)C(C)NC(=O)CNCC1CN(C)CCO1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide?
The InChIKey is UKXPQCIAPXFSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(2)11(3)15-13(17)8-14-7-12-9-16(4)5-6-18-12/h10-12,14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide?
N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide is sourced from PubChem (CID 78945317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).