1-amino-3-ethoxy-N-[(3-ethylthiophen-2-yl)methyl]-2,2-dimethylcyclobutane-1-carboxamide

C16H26N2O2S — CID 114829608

IUPAC1-amino-3-ethoxy-N-[(3-ethylthiophen-2-yl)methyl]-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCc2sccc2CC)C1(C)C
InChIInChI=1S/C16H26N2O2S/c1-5-11-7-8-21-12(11)10-18-14(19)16(17)9-13(20-6-2)15(16,3)4/h7-8,13H,5-6,9-10,17H2,1-4H3,(H,18,19)
InChIKeyNLZFCBPYQKFXBD-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.46
Rot. Bonds6

About 1-amino-3-ethoxy-N-[(3-ethylthiophen-2-yl)methyl]-2,2-dimethylcyclobutane-1-carboxamide

1-amino-3-ethoxy-N-[(3-ethylthiophen-2-yl)methyl]-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 114829608) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N-[(3-ethylthiophen-2-yl)methyl]-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N-[(3-ethylthiophen-2-yl)methyl]-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID114829608
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-amino-3-ethoxy-N-[(3-ethylthiophen-2-yl)methyl]-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCc2sccc2CC)C1(C)C
InChIInChI=1S/C16H26N2O2S/c1-5-11-7-8-21-12(11)10-18-14(19)16(17)9-13(20-6-2)15(16,3)4/h7-8,13H,5-6,9-10,17H2,1-4H3,(H,18,19)
InChIKeyNLZFCBPYQKFXBD-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(4-bromothiophen-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829337
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827880
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-N-(cyanomethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828942
1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 114829358
1-carbamothioyl-N-[(3-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 80590985
1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 105056190
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 114827931
1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide
CID 114827944
1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827759
1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827911

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N-[(3-ethylthiophen-2-yl)methyl]-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N-[(3-ethylthiophen-2-yl)methyl]-2,2-dimethylcyclobutane-1-carboxamide (CID 114829608) is 1-amino-3-ethoxy-N-[(3-ethylthiophen-2-yl)methyl]-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N-[(3-ethylthiophen-2-yl)methyl]-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N-[(3-ethylthiophen-2-yl)methyl]-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCc2sccc2CC)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N-[(3-ethylthiophen-2-yl)methyl]-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is NLZFCBPYQKFXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-5-11-7-8-21-12(11)10-18-14(19)16(17)9-13(20-6-2)15(16,3)4/h7-8,13H,5-6,9-10,17H2,1-4H3,(H,18,19).
What are the key properties of 1-amino-3-ethoxy-N-[(3-ethylthiophen-2-yl)methyl]-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-N-[(3-ethylthiophen-2-yl)methyl]-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 310.46 g/mol, XLogP of 2.46, 6 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-[(3-ethylthiophen-2-yl)methyl]-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 114829608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).