4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide

C13H26N2O2 — CID 114285687

IUPAC4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide
SMILESCC(NC(=O)C(C)(C)CCN)C1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-10(11-4-8-17-9-5-11)15-12(16)13(2,3)6-7-14/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeySNMFSNWLNGHJMC-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds5

About 4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide

4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide (PubChem CID 114285687) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide
PubChem CID114285687
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide
SMILESCC(NC(=O)C(C)(C)CCN)C1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-10(11-4-8-17-9-5-11)15-12(16)13(2,3)6-7-14/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeySNMFSNWLNGHJMC-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]-3-sulfanylidenepropanamide
CID 114115167
2-methoxy-2-methyl-N-[1-(oxan-4-yl)ethyl]propanamide
CID 103769337
4-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797662
3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide
CID 115426905
2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide
CID 103769518
6-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]hexanamide
CID 114115149
2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114115162
2-hydroxy-2-methyl-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 103430535
2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120593233
(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797658
2-amino-2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 115753126
3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide
CID 114115155

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide?
The IUPAC name of 4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide (CID 114285687) is 4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide is CC(NC(=O)C(C)(C)CCN)C1CCOCC1.
What is the InChIKey of 4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide?
The InChIKey is SNMFSNWLNGHJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(11-4-8-17-9-5-11)15-12(16)13(2,3)6-7-14/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide?
4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide is sourced from PubChem (CID 114285687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).