N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide

C21H32N2O2 — CID 45484652

IUPACN-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCCC2C)cc(CN2CCOCC2)c1C
InChIInChI=1S/C21H32N2O2/c1-15-6-4-5-7-20(15)21(24)22-19-12-16(2)17(3)18(13-19)14-23-8-10-25-11-9-23/h12-13,15,20H,4-11,14H2,1-3H3,(H,22,24)
InChIKeyWSOHKASMFUAWFD-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.90
Rot. Bonds4

About N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide

N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide (PubChem CID 45484652) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide
PubChem CID45484652
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCCC2C)cc(CN2CCOCC2)c1C
InChIInChI=1S/C21H32N2O2/c1-15-6-4-5-7-20(15)21(24)22-19-12-16(2)17(3)18(13-19)14-23-8-10-25-11-9-23/h12-13,15,20H,4-11,14H2,1-3H3,(H,22,24)
InChIKeyWSOHKASMFUAWFD-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide (CID 45484652) is N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide is Cc1cc(NC(=O)C2CCCCC2C)cc(CN2CCOCC2)c1C.
What is the InChIKey of N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide?
The InChIKey is WSOHKASMFUAWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-15-6-4-5-7-20(15)21(24)22-19-12-16(2)17(3)18(13-19)14-23-8-10-25-11-9-23/h12-13,15,20H,4-11,14H2,1-3H3,(H,22,24).
What are the key properties of N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide?
N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 45484652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).