2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide

C25H35N3O — CID 68632578

IUPAC2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C25H35N3O/c1-26(2)23(29)20-28(5)25(22-14-10-7-11-15-22)18-16-24(17-19-25,27(3)4)21-12-8-6-9-13-21/h6-15H,16-20H2,1-5H3
InChIKeyQBKKGYWLVOYENH-UHFFFAOYSA-N
MW393.58 g/mol
LogP3.93
Rot. Bonds6

About 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide

2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide (PubChem CID 68632578) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide
PubChem CID68632578
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC Name2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C25H35N3O/c1-26(2)23(29)20-28(5)25(22-14-10-7-11-15-22)18-16-24(17-19-25,27(3)4)21-12-8-6-9-13-21/h6-15H,16-20H2,1-5H3
InChIKeyQBKKGYWLVOYENH-UHFFFAOYSA-N
XLogP3.93
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide (CID 68632578) is 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1.
What is the InChIKey of 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is QBKKGYWLVOYENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-26(2)23(29)20-28(5)25(22-14-10-7-11-15-22)18-16-24(17-19-25,27(3)4)21-12-8-6-9-13-21/h6-15H,16-20H2,1-5H3.
What are the key properties of 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide?
2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 393.58 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 68632578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).