N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide

C22H32N2O2 — CID 126790169

IUPACN-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCC1(CN2CCOCC2)CCCCC1)C1(c2ccccc2)CC1
InChIInChI=1S/C22H32N2O2/c25-20(22(11-12-22)19-7-3-1-4-8-19)23-17-21(9-5-2-6-10-21)18-24-13-15-26-16-14-24/h1,3-4,7-8H,2,5-6,9-18H2,(H,23,25)
InChIKeyFRGKZULENGUTAF-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.12
Rot. Bonds6

About N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide

N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 126790169) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID126790169
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCC1(CN2CCOCC2)CCCCC1)C1(c2ccccc2)CC1
InChIInChI=1S/C22H32N2O2/c25-20(22(11-12-22)19-7-3-1-4-8-19)23-17-21(9-5-2-6-10-21)18-24-13-15-26-16-14-24/h1,3-4,7-8H,2,5-6,9-18H2,(H,23,25)
InChIKeyFRGKZULENGUTAF-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide (CID 126790169) is N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide is O=C(NCC1(CN2CCOCC2)CCCCC1)C1(c2ccccc2)CC1.
What is the InChIKey of N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is FRGKZULENGUTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c25-20(22(11-12-22)19-7-3-1-4-8-19)23-17-21(9-5-2-6-10-21)18-24-13-15-26-16-14-24/h1,3-4,7-8H,2,5-6,9-18H2,(H,23,25).
What are the key properties of N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide?
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 126790169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).