N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propan-2-yloxybenzamide

C19H30N2O2 — CID 2559755

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1
InChIInChI=1S/C19H30N2O2/c1-15(2)23-17-10-8-16(9-11-17)18(22)20-14-19(21(3)4)12-6-5-7-13-19/h8-11,15H,5-7,12-14H2,1-4H3,(H,20,22)
InChIKeyVYSCUICDXXFCDV-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.47
Rot. Bonds6

About N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propan-2-yloxybenzamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propan-2-yloxybenzamide (PubChem CID 2559755) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-4-propan-2-yloxybenzamide
PubChem CID2559755
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1
InChIInChI=1S/C19H30N2O2/c1-15(2)23-17-10-8-16(9-11-17)18(22)20-14-19(21(3)4)12-6-5-7-13-19/h8-11,15H,5-7,12-14H2,1-4H3,(H,20,22)
InChIKeyVYSCUICDXXFCDV-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propan-2-yloxybenzamide (CID 2559755) is N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propan-2-yloxybenzamide?
The InChIKey is VYSCUICDXXFCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15(2)23-17-10-8-16(9-11-17)18(22)20-14-19(21(3)4)12-6-5-7-13-19/h8-11,15H,5-7,12-14H2,1-4H3,(H,20,22).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propan-2-yloxybenzamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propan-2-yloxybenzamide has a molecular weight of 318.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 2559755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).