N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide

C13H27N3O2 — CID 170064550

IUPACN-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide
SMILESCCCNCCN1CCO[C@H](CN(C)C(C)=O)C1
InChIInChI=1S/C13H27N3O2/c1-4-5-14-6-7-16-8-9-18-13(11-16)10-15(3)12(2)17/h13-14H,4-11H2,1-3H3/t13-/m1/s1
InChIKeySOTXMXGPCGHBOC-CYBMUJFWSA-N
MW257.38 g/mol
LogP0.17
Rot. Bonds7

About N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide

N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide (PubChem CID 170064550) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide
PubChem CID170064550
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide
SMILESCCCNCCN1CCO[C@H](CN(C)C(C)=O)C1
InChIInChI=1S/C13H27N3O2/c1-4-5-14-6-7-16-8-9-18-13(11-16)10-15(3)12(2)17/h13-14H,4-11H2,1-3H3/t13-/m1/s1
InChIKeySOTXMXGPCGHBOC-CYBMUJFWSA-N
XLogP0.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide
CID 156795218
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane
CID 156795217
N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 166800661
N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide
CID 167243582
N,2-dimethyl-N-[(4-propylmorpholin-2-yl)methyl]propanamide
CID 164906952
N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 155707218
N,2-dimethyl-N-[(4-pentylmorpholin-2-yl)methyl]propanamide
CID 163400251
2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 170057363
N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane
CID 169213965
potassium;carbanide;ethane;N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N-methylformamide
CID 164557349
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-N-methylpropanamide
CID 155582749
N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide
CID 155739567

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide (CID 170064550) is N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide is CCCNCCN1CCO[C@H](CN(C)C(C)=O)C1.
What is the InChIKey of N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide?
The InChIKey is SOTXMXGPCGHBOC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-5-14-6-7-16-8-9-18-13(11-16)10-15(3)12(2)17/h13-14H,4-11H2,1-3H3/t13-/m1/s1.
What are the key properties of N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide?
N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 170064550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).