1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide

C17H32N2O2 — CID 105056190

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC2(C)CCCCC2)C1(C)C
InChIInChI=1S/C17H32N2O2/c1-5-21-13-11-17(18,15(13,2)3)14(20)19-12-16(4)9-7-6-8-10-16/h13H,5-12,18H2,1-4H3,(H,19,20)
InChIKeyJYMPHWLQIGGMJK-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.61
Rot. Bonds5

About 1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide (PubChem CID 105056190) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
PubChem CID105056190
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC2(C)CCCCC2)C1(C)C
InChIInChI=1S/C17H32N2O2/c1-5-21-13-11-17(18,15(13,2)3)14(20)19-12-16(4)9-7-6-8-10-16/h13H,5-12,18H2,1-4H3,(H,19,20)
InChIKeyJYMPHWLQIGGMJK-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide (CID 105056190) is 1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCC2(C)CCCCC2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is JYMPHWLQIGGMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-21-13-11-17(18,15(13,2)3)14(20)19-12-16(4)9-7-6-8-10-16/h13H,5-12,18H2,1-4H3,(H,19,20).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 105056190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).