4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide

C22H34N2O2 — CID 11660454

IUPAC4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide
SMILESCC1(C)CC(NC(=O)C2COCCN2Cc2ccccc2)CC(C)(C)C1
InChIInChI=1S/C22H34N2O2/c1-21(2)12-18(13-22(3,4)16-21)23-20(25)19-15-26-11-10-24(19)14-17-8-6-5-7-9-17/h5-9,18-19H,10-16H2,1-4H3,(H,23,25)
InChIKeyBIXMWNVEOXPDAZ-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.61
Rot. Bonds4

About 4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide

4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide (PubChem CID 11660454) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide
PubChem CID11660454
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide
SMILESCC1(C)CC(NC(=O)C2COCCN2Cc2ccccc2)CC(C)(C)C1
InChIInChI=1S/C22H34N2O2/c1-21(2)12-18(13-22(3,4)16-21)23-20(25)19-15-26-11-10-24(19)14-17-8-6-5-7-9-17/h5-9,18-19H,10-16H2,1-4H3,(H,23,25)
InChIKeyBIXMWNVEOXPDAZ-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848
4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098577
4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83103715
3-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-2-carboxylic acid
CID 83102524
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83106227
N-ethyl-4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83101765
N-[2-(4-benzylmorpholin-3-yl)ethyl]acetamide
CID 10264698
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83103828
5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
CID 83101848
4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83106722

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide?
The IUPAC name of 4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide (CID 11660454) is 4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide is CC1(C)CC(NC(=O)C2COCCN2Cc2ccccc2)CC(C)(C)C1.
What is the InChIKey of 4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide?
The InChIKey is BIXMWNVEOXPDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-21(2)12-18(13-22(3,4)16-21)23-20(25)19-15-26-11-10-24(19)14-17-8-6-5-7-9-17/h5-9,18-19H,10-16H2,1-4H3,(H,23,25).
What are the key properties of 4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide?
4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide is sourced from PubChem (CID 11660454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).