3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide

C22H34N2O2 — CID 46449436

IUPAC3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
SMILESCC1CN(Cc2ccc(CNC(=O)CCC3CCCC3)cc2)CC(C)O1
InChIInChI=1S/C22H34N2O2/c1-17-14-24(15-18(2)26-17)16-21-9-7-20(8-10-21)13-23-22(25)12-11-19-5-3-4-6-19/h7-10,17-19H,3-6,11-16H2,1-2H3,(H,23,25)
InChIKeyTWPAVMUYJBTBSU-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.88
Rot. Bonds7

About 3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide

3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide (PubChem CID 46449436) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
PubChem CID46449436
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
SMILESCC1CN(Cc2ccc(CNC(=O)CCC3CCCC3)cc2)CC(C)O1
InChIInChI=1S/C22H34N2O2/c1-17-14-24(15-18(2)26-17)16-21-9-7-20(8-10-21)13-23-22(25)12-11-19-5-3-4-6-19/h7-10,17-19H,3-6,11-16H2,1-2H3,(H,23,25)
InChIKeyTWPAVMUYJBTBSU-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
CID 46417626
2-[cyclopropyl(methyl)amino]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide
CID 60503915
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 55637143
N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide
CID 107233470
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride
CID 43094957
3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
CID 37426831
N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine
CID 104960940
3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methyl-1-(2-methylprop-2-enyl)urea
CID 84597365
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46417237
(2S,5R)-5-(aminomethyl)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 120797858
4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
CID 46417014

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide (CID 46449436) is 3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide is CC1CN(Cc2ccc(CNC(=O)CCC3CCCC3)cc2)CC(C)O1.
What is the InChIKey of 3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is TWPAVMUYJBTBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-17-14-24(15-18(2)26-17)16-21-9-7-20(8-10-21)13-23-22(25)12-11-19-5-3-4-6-19/h7-10,17-19H,3-6,11-16H2,1-2H3,(H,23,25).
What are the key properties of 3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide?
3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 358.53 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 46449436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).