N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide

C16H23ClN2O — CID 110278622

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide
SMILESCN(C)CCC(NC(=O)C1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-19(2)11-10-15(12-6-8-14(17)9-7-12)18-16(20)13-4-3-5-13/h6-9,13,15H,3-5,10-11H2,1-2H3,(H,18,20)
InChIKeyFEPAMHKQHXNBBI-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.25
Rot. Bonds6

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide (PubChem CID 110278622) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide
PubChem CID110278622
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide
SMILESCN(C)CCC(NC(=O)C1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-19(2)11-10-15(12-6-8-14(17)9-7-12)18-16(20)13-4-3-5-13/h6-9,13,15H,3-5,10-11H2,1-2H3,(H,18,20)
InChIKeyFEPAMHKQHXNBBI-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide (CID 110278622) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide is CN(C)CCC(NC(=O)C1CCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide?
The InChIKey is FEPAMHKQHXNBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-19(2)11-10-15(12-6-8-14(17)9-7-12)18-16(20)13-4-3-5-13/h6-9,13,15H,3-5,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide is sourced from PubChem (CID 110278622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).