2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide

C20H30N2O2 — CID 45484737

IUPAC2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2C)cc1CN1CCOCC1
InChIInChI=1S/C20H30N2O2/c1-15-7-8-18(13-17(15)14-22-9-11-24-12-10-22)21-20(23)19-6-4-3-5-16(19)2/h7-8,13,16,19H,3-6,9-12,14H2,1-2H3,(H,21,23)
InChIKeyDJDCZALMEJMMLS-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.59
Rot. Bonds4

About 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide

2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 45484737) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID45484737
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2C)cc1CN1CCOCC1
InChIInChI=1S/C20H30N2O2/c1-15-7-8-18(13-17(15)14-22-9-11-24-12-10-22)21-20(23)19-6-4-3-5-16(19)2/h7-8,13,16,19H,3-6,9-12,14H2,1-2H3,(H,21,23)
InChIKeyDJDCZALMEJMMLS-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide (CID 45484737) is 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCCCC2C)cc1CN1CCOCC1.
What is the InChIKey of 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is DJDCZALMEJMMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15-7-8-18(13-17(15)14-22-9-11-24-12-10-22)21-20(23)19-6-4-3-5-16(19)2/h7-8,13,16,19H,3-6,9-12,14H2,1-2H3,(H,21,23).
What are the key properties of 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide?
2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 45484737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).