N-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide

C13H27N3O2 — CID 108994800

IUPACN-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide
SMILESCCCCN(C)C(=O)CNCCN1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-3-4-6-15(2)13(17)12-14-5-7-16-8-10-18-11-9-16/h14H,3-12H2,1-2H3
InChIKeyDFTJTROSEMZASS-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.17
Rot. Bonds8

About N-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide

N-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide (PubChem CID 108994800) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide
PubChem CID108994800
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide
SMILESCCCCN(C)C(=O)CNCCN1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-3-4-6-15(2)13(17)12-14-5-7-16-8-10-18-11-9-16/h14H,3-12H2,1-2H3
InChIKeyDFTJTROSEMZASS-UHFFFAOYSA-N
XLogP0.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 60687185
2-(2-morpholin-4-ylethylamino)acetic acid
CID 28897547
2-(2-morpholin-4-ylethylamino)-N-pentan-2-ylacetamide
CID 60687135
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748
N',N'-dimethyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28583738
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
ethyl 4-[2-(2-morpholin-4-ylethylamino)acetyl]piperazine-1-carboxylate
CID 108994784
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113103857
1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea
CID 83120439
4-butylmorpholine;N,N-dimethylformamide
CID 178173228
N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 109017680
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide?
The IUPAC name of N-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide (CID 108994800) is N-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide?
The canonical SMILES for N-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide is CCCCN(C)C(=O)CNCCN1CCOCC1.
What is the InChIKey of N-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide?
The InChIKey is DFTJTROSEMZASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-4-6-15(2)13(17)12-14-5-7-16-8-10-18-11-9-16/h14H,3-12H2,1-2H3.
What are the key properties of N-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide?
N-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide is sourced from PubChem (CID 108994800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).