N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propoxybenzamide

C19H30N2O2 — CID 2558843

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1
InChIInChI=1S/C19H30N2O2/c1-4-14-23-17-10-8-16(9-11-17)18(22)20-15-19(21(2)3)12-6-5-7-13-19/h8-11H,4-7,12-15H2,1-3H3,(H,20,22)
InChIKeyAQIZSTQRYSMBNZ-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.47
Rot. Bonds7

About N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propoxybenzamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propoxybenzamide (PubChem CID 2558843) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-4-propoxybenzamide
PubChem CID2558843
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1
InChIInChI=1S/C19H30N2O2/c1-4-14-23-17-10-8-16(9-11-17)18(22)20-15-19(21(2)3)12-6-5-7-13-19/h8-11H,4-7,12-15H2,1-3H3,(H,20,22)
InChIKeyAQIZSTQRYSMBNZ-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-propoxybenzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propoxybenzamide (CID 2558843) is N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propoxybenzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propoxybenzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propoxybenzamide?
The InChIKey is AQIZSTQRYSMBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-14-23-17-10-8-16(9-11-17)18(22)20-15-19(21(2)3)12-6-5-7-13-19/h8-11H,4-7,12-15H2,1-3H3,(H,20,22).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propoxybenzamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-propoxybenzamide has a molecular weight of 318.46 g/mol, XLogP of 3.47, 7 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-propoxybenzamide is sourced from PubChem (CID 2558843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).