N-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide

C13H26N2O2 — CID 83033491

IUPACN-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide
SMILESCCCCNC(=O)CNC1CCOC(C)(C)C1
InChIInChI=1S/C13H26N2O2/c1-4-5-7-14-12(16)10-15-11-6-8-17-13(2,3)9-11/h11,15H,4-10H2,1-3H3,(H,14,16)
InChIKeyDQXZVPHIMSNSMD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.45
Rot. Bonds6

About N-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide

N-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide (PubChem CID 83033491) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide
PubChem CID83033491
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide
SMILESCCCCNC(=O)CNC1CCOC(C)(C)C1
InChIInChI=1S/C13H26N2O2/c1-4-5-7-14-12(16)10-15-11-6-8-17-13(2,3)9-11/h11,15H,4-10H2,1-3H3,(H,14,16)
InChIKeyDQXZVPHIMSNSMD-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.45
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-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 83032655
N-butyl-2-[(3,3-dimethylcyclopentyl)amino]acetamide
CID 114545867
N-butyl-2-(cyclopropylamino)acetamide
CID 54773122
2-[(2,2-dimethyloxan-4-yl)amino]-N-ethyl-N-methylacetamide
CID 83033158
2-[(2,2-dimethyloxan-4-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 83033234
tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate
CID 83032600
2-[(2,2-dimethyloxan-4-yl)amino]-N-phenylacetamide
CID 83033070
N-(2,2-dimethyloxan-4-yl)butanamide
CID 115563895
N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine
CID 83033238
2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine
CID 114472487
2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide
CID 83032578
N-cyclopropyl-2-[(2,2-diethyloxan-4-yl)amino]acetamide
CID 83032670

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide?
The IUPAC name of N-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide (CID 83033491) is N-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide.
What is the SMILES notation for N-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide?
The canonical SMILES for N-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide is CCCCNC(=O)CNC1CCOC(C)(C)C1.
What is the InChIKey of N-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide?
The InChIKey is DQXZVPHIMSNSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-5-7-14-12(16)10-15-11-6-8-17-13(2,3)9-11/h11,15H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide?
N-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide is sourced from PubChem (CID 83033491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).