4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol;oxalic acid

C18H26ClNO5 — CID 19823877

IUPAC4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol;oxalic acid
SMILESCC(C(N)C1(c2ccc(Cl)cc2)CCC1)C(C)(C)O.O=C(O)C(=O)O
InChIInChI=1S/C16H24ClNO.C2H2O4/c1-11(15(2,3)19)14(18)16(9-4-10-16)12-5-7-13(17)8-6-12;3-1(4)2(5)6/h5-8,11,14,19H,4,9-10,18H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyPBUBXVSFDBRZNF-UHFFFAOYSA-N
MW371.86 g/mol
LogP2.65
Rot. Bonds4

About 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol;oxalic acid

4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol;oxalic acid (PubChem CID 19823877) has the molecular formula C18H26ClNO5 and a molecular weight of 371.86 g/mol. Its IUPAC name is 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol;oxalic acid.

Molecular Properties

Compound Name4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol;oxalic acid
PubChem CID19823877
Molecular FormulaC18H26ClNO5
Molecular Weight371.86 g/mol
Exact Mass371.15
IUPAC Name4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol;oxalic acid
SMILESCC(C(N)C1(c2ccc(Cl)cc2)CCC1)C(C)(C)O.O=C(O)C(=O)O
InChIInChI=1S/C16H24ClNO.C2H2O4/c1-11(15(2,3)19)14(18)16(9-4-10-16)12-5-7-13(17)8-6-12;3-1(4)2(5)6/h5-8,11,14,19H,4,9-10,18H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyPBUBXVSFDBRZNF-UHFFFAOYSA-N
XLogP2.65
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol;oxalic acid?
The IUPAC name of 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol;oxalic acid (CID 19823877) is 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol;oxalic acid.
What is the SMILES notation for 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol;oxalic acid?
The canonical SMILES for 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol;oxalic acid is CC(C(N)C1(c2ccc(Cl)cc2)CCC1)C(C)(C)O.O=C(O)C(=O)O.
What is the InChIKey of 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol;oxalic acid?
The InChIKey is PBUBXVSFDBRZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO.C2H2O4/c1-11(15(2,3)19)14(18)16(9-4-10-16)12-5-7-13(17)8-6-12;3-1(4)2(5)6/h5-8,11,14,19H,4,9-10,18H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol;oxalic acid?
4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol;oxalic acid has a molecular weight of 371.86 g/mol, XLogP of 2.65, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2,3-dimethylbutan-2-ol;oxalic acid is sourced from PubChem (CID 19823877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).