3-amino-5-cyclohexyl-N,N-diethylbenzamide

C17H26N2O — CID 171121587

IUPAC3-amino-5-cyclohexyl-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cc(N)cc(C2CCCCC2)c1
InChIInChI=1S/C17H26N2O/c1-3-19(4-2)17(20)15-10-14(11-16(18)12-15)13-8-6-5-7-9-13/h10-13H,3-9,18H2,1-2H3
InChIKeyAGWOMVRWPNUDTC-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.80
Rot. Bonds4

About 3-amino-5-cyclohexyl-N,N-diethylbenzamide

3-amino-5-cyclohexyl-N,N-diethylbenzamide (PubChem CID 171121587) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-amino-5-cyclohexyl-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-amino-5-cyclohexyl-N,N-diethylbenzamide
PubChem CID171121587
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-amino-5-cyclohexyl-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cc(N)cc(C2CCCCC2)c1
InChIInChI=1S/C17H26N2O/c1-3-19(4-2)17(20)15-10-14(11-16(18)12-15)13-8-6-5-7-9-13/h10-13H,3-9,18H2,1-2H3
InChIKeyAGWOMVRWPNUDTC-UHFFFAOYSA-N
XLogP3.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyclohexyl-N,N-diethylbenzamide?
The IUPAC name of 3-amino-5-cyclohexyl-N,N-diethylbenzamide (CID 171121587) is 3-amino-5-cyclohexyl-N,N-diethylbenzamide.
What is the SMILES notation for 3-amino-5-cyclohexyl-N,N-diethylbenzamide?
The canonical SMILES for 3-amino-5-cyclohexyl-N,N-diethylbenzamide is CCN(CC)C(=O)c1cc(N)cc(C2CCCCC2)c1.
What is the InChIKey of 3-amino-5-cyclohexyl-N,N-diethylbenzamide?
The InChIKey is AGWOMVRWPNUDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-19(4-2)17(20)15-10-14(11-16(18)12-15)13-8-6-5-7-9-13/h10-13H,3-9,18H2,1-2H3.
What are the key properties of 3-amino-5-cyclohexyl-N,N-diethylbenzamide?
3-amino-5-cyclohexyl-N,N-diethylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyclohexyl-N,N-diethylbenzamide is sourced from PubChem (CID 171121587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).