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

C13H24N2O2 — CID 103845773

IUPAC4-amino-N-[(1-ethylcyclobutyl)methyl]oxane-4-carboxamide
SMILESCCC1(CNC(=O)C2(N)CCOCC2)CCC1
InChIInChI=1S/C13H24N2O2/c1-2-12(4-3-5-12)10-15-11(16)13(14)6-8-17-9-7-13/h2-10,14H2,1H3,(H,15,16)
InChIKeyGMJDBZSLIRSYPA-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.19
Rot. Bonds4

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

4-amino-N-[(1-ethylcyclobutyl)methyl]oxane-4-carboxamide (PubChem CID 103845773) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-amino-N-[(1-ethylcyclobutyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-ethylcyclobutyl)methyl]oxane-4-carboxamide
PubChem CID103845773
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-amino-N-[(1-ethylcyclobutyl)methyl]oxane-4-carboxamide
SMILESCCC1(CNC(=O)C2(N)CCOCC2)CCC1
InChIInChI=1S/C13H24N2O2/c1-2-12(4-3-5-12)10-15-11(16)13(14)6-8-17-9-7-13/h2-10,14H2,1H3,(H,15,16)
InChIKeyGMJDBZSLIRSYPA-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide
CID 164634508
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 113639724
1-amino-N-(2,2-difluoroethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 113639809
1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide
CID 114829212
1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide
CID 114829739
1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide
CID 114829741
Tert-butyl-[4-(methylcarbamoyl)oxan-4-yl]azanium
CID 59078589
4-(tert-butylamino)-N-methyloxane-4-carboxamide
CID 59078590
4-(Propylamino)oxane-4-carboxamide
CID 60796528
2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide
CID 68922402
4-amino-N-(2-methylpropyl)oxane-4-carboxamide
CID 69408628
4-(4,4-dimethylpentylamino)-N-methyloxane-4-carboxamide
CID 70791622

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-ethylcyclobutyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[(1-ethylcyclobutyl)methyl]oxane-4-carboxamide (CID 103845773) is 4-amino-N-[(1-ethylcyclobutyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-ethylcyclobutyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[(1-ethylcyclobutyl)methyl]oxane-4-carboxamide is CCC1(CNC(=O)C2(N)CCOCC2)CCC1.
What is the InChIKey of 4-amino-N-[(1-ethylcyclobutyl)methyl]oxane-4-carboxamide?
The InChIKey is GMJDBZSLIRSYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-12(4-3-5-12)10-15-11(16)13(14)6-8-17-9-7-13/h2-10,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-[(1-ethylcyclobutyl)methyl]oxane-4-carboxamide?
4-amino-N-[(1-ethylcyclobutyl)methyl]oxane-4-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.19, 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-ethylcyclobutyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 103845773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).