1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide

C16H23ClN2O2 — CID 114827953

IUPAC1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)Nc2cc(Cl)ccc2C)C1(C)C
InChIInChI=1S/C16H23ClN2O2/c1-5-21-13-9-16(18,15(13,3)4)14(20)19-12-8-11(17)7-6-10(12)2/h6-8,13H,5,9,18H2,1-4H3,(H,19,20)
InChIKeyXYENOFCCSKHCPE-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.12
Rot. Bonds4

About 1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide

1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 114827953) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID114827953
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)Nc2cc(Cl)ccc2C)C1(C)C
InChIInChI=1S/C16H23ClN2O2/c1-5-21-13-9-16(18,15(13,3)4)14(20)19-12-8-11(17)7-6-10(12)2/h6-8,13H,5,9,18H2,1-4H3,(H,19,20)
InChIKeyXYENOFCCSKHCPE-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(4-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827956
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 114827931
1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 107625694
1-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827966
1-amino-N-(5-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 65465047
1-N'-(5-chloro-2-methylphenyl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970699
1-N'-(5-chloro-2-methylphenyl)-1-N-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982689
1-N-(4-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982681
1-amino-3-ethoxy-2,2-dimethyl-N-pent-3-ynylcyclobutane-1-carboxamide
CID 114830110
1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976105
1-N-(3-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982630
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide (CID 114827953) is 1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)Nc2cc(Cl)ccc2C)C1(C)C.
What is the InChIKey of 1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is XYENOFCCSKHCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-5-21-13-9-16(18,15(13,3)4)14(20)19-12-8-11(17)7-6-10(12)2/h6-8,13H,5,9,18H2,1-4H3,(H,19,20).
What are the key properties of 1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 114827953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).