2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide

C11H22N2O2 — CID 54815697

IUPAC2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCCCNCC(=O)NCC1CCCO1
InChIInChI=1S/C11H22N2O2/c1-2-3-6-12-9-11(14)13-8-10-5-4-7-15-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyKSFMWFVHEJIJEK-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.67
Rot. Bonds7

About 2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide

2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 54815697) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID54815697
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCCCNCC(=O)NCC1CCCO1
InChIInChI=1S/C11H22N2O2/c1-2-3-6-12-9-11(14)13-8-10-5-4-7-15-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyKSFMWFVHEJIJEK-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54808872
ethyl 4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]butanoate
CID 60687916
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 119670121
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
2-(2-methoxyethylamino)-N-(oxan-2-ylmethyl)acetamide
CID 79281834
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-(oxolan-2-ylmethyl)-2-(propylsulfonylamino)acetamide
CID 112991356
(5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide
CID 23625079
2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide
CID 112991314
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide (CID 54815697) is 2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide is CCCCNCC(=O)NCC1CCCO1.
What is the InChIKey of 2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is KSFMWFVHEJIJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-6-12-9-11(14)13-8-10-5-4-7-15-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide?
2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 214.31 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 54815697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).