1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide

C15H30N2O2S — CID 114830086

IUPAC1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NC(C)CCSCC)C1(C)C
InChIInChI=1S/C15H30N2O2S/c1-6-19-12-10-15(16,14(12,4)5)13(18)17-11(3)8-9-20-7-2/h11-12H,6-10,16H2,1-5H3,(H,17,18)
InChIKeyMDOBRCIIDNPSMV-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.17
Rot. Bonds8

About 1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide

1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 114830086) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID114830086
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NC(C)CCSCC)C1(C)C
InChIInChI=1S/C15H30N2O2S/c1-6-19-12-10-15(16,14(12,4)5)13(18)17-11(3)8-9-20-7-2/h11-12H,6-10,16H2,1-5H3,(H,17,18)
InChIKeyMDOBRCIIDNPSMV-UHFFFAOYSA-N
XLogP2.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide
CID 107219003
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 114827756
1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide
CID 114829987
1-amino-N-(1,1-dimethoxypropan-2-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829345
methyl 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-3-methylbutanoate
CID 114828888
1-amino-3-ethoxy-2,2-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 114828983
(2R)-2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-hydroxybutanoic acid
CID 107825130
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclobutane-1-carboxamide
CID 114829539
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 114828245
2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid
CID 114829126
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide (CID 114830086) is 1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NC(C)CCSCC)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is MDOBRCIIDNPSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-6-19-12-10-15(16,14(12,4)5)13(18)17-11(3)8-9-20-7-2/h11-12H,6-10,16H2,1-5H3,(H,17,18).
What are the key properties of 1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 302.48 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 114830086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).