4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide

C12H22N2O2 — CID 103845772

IUPAC4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide
SMILESCCC1(CNC(=O)C2(N)CCOCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-2-11(3-4-11)9-14-10(15)12(13)5-7-16-8-6-12/h2-9,13H2,1H3,(H,14,15)
InChIKeySHXHRRAWDOWYFF-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.80
Rot. Bonds4

About 4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide

4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide (PubChem CID 103845772) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide
PubChem CID103845772
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide
SMILESCCC1(CNC(=O)C2(N)CCOCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-2-11(3-4-11)9-14-10(15)12(13)5-7-16-8-6-12/h2-9,13H2,1H3,(H,14,15)
InChIKeySHXHRRAWDOWYFF-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide
CID 56790354
N-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide
CID 126790819
4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide
CID 146476352
2-amino-3,3,3-trifluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylpropanamide
CID 105791417
2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 105891810
4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide
CID 113327474
4-amino-N-(5,5,5-trifluoropentyl)oxane-4-carboxamide
CID 113327534
4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide
CID 114130838
4-amino-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 115293589
4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide
CID 115294306
4-amino-N-(3,3,3-trifluoropropyl)oxane-4-carboxamide
CID 115294899
4-amino-N-(2,2-difluoroethyl)oxane-4-carboxamide
CID 115406859

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide (CID 103845772) is 4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide is CCC1(CNC(=O)C2(N)CCOCC2)CC1.
What is the InChIKey of 4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide?
The InChIKey is SHXHRRAWDOWYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-11(3-4-11)9-14-10(15)12(13)5-7-16-8-6-12/h2-9,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide?
4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-ethylcyclopropyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 103845772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).