N-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide

C13H27N3O2 — CID 60687185

IUPACN-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide
SMILESCC(C)C(C)NC(=O)CNCCN1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-11(2)12(3)15-13(17)10-14-4-5-16-6-8-18-9-7-16/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyGVJZPJMYRFUKDB-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.07
Rot. Bonds7

About N-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide

N-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide (PubChem CID 60687185) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide
PubChem CID60687185
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide
SMILESCC(C)C(C)NC(=O)CNCCN1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-11(2)12(3)15-13(17)10-14-4-5-16-6-8-18-9-7-16/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyGVJZPJMYRFUKDB-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-morpholin-4-ylethylamino)-N-pentan-2-ylacetamide
CID 60687135
N-(3-methylbutan-2-yl)-2-(morpholin-4-ylamino)acetamide
CID 83021379
2-(2-morpholin-4-ylethylamino)acetic acid
CID 28897547
N-(3-methylbutan-2-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712550
N-butyl-N-methyl-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994800
ethyl 4-[2-(2-morpholin-4-ylethylamino)acetyl]piperazine-1-carboxylate
CID 108994784
N-methyl-4-(2-morpholin-4-ylethylamino)butanamide
CID 63892681
1-(2-morpholin-4-ylethylamino)propan-2-ol
CID 43393555
2,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 64568943
1-morpholin-4-yl-2-(3-morpholin-4-ylpropylamino)ethanone
CID 43091152
2-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994050
4-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 61044634

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide (CID 60687185) is N-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide is CC(C)C(C)NC(=O)CNCCN1CCOCC1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide?
The InChIKey is GVJZPJMYRFUKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(2)12(3)15-13(17)10-14-4-5-16-6-8-18-9-7-16/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide?
N-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.07, 7 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-(2-morpholin-4-ylethylamino)acetamide is sourced from PubChem (CID 60687185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).