1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one

C21H32N2O — CID 78903887

IUPAC1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
SMILESCCCC1CCC(NCc2ccc(CN3CCCC3=O)cc2)CC1
InChIInChI=1S/C21H32N2O/c1-2-4-17-10-12-20(13-11-17)22-15-18-6-8-19(9-7-18)16-23-14-3-5-21(23)24/h6-9,17,20,22H,2-5,10-16H2,1H3
InChIKeyMRYRTWPFTNACCT-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.26
Rot. Bonds7

About 1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one

1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 78903887) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID78903887
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
SMILESCCCC1CCC(NCc2ccc(CN3CCCC3=O)cc2)CC1
InChIInChI=1S/C21H32N2O/c1-2-4-17-10-12-20(13-11-17)22-15-18-6-8-19(9-7-18)16-23-14-3-5-21(23)24/h6-9,17,20,22H,2-5,10-16H2,1H3
InChIKeyMRYRTWPFTNACCT-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid
CID 62215760
1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine
CID 87033069
1-(cyclopropylmethyl)-2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111867429
1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine
CID 96568139
1-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 119624264
N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105401447
2-methyl-1-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111017051
N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454462
N'-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109444244
4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 53278552
N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423801
3-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962735

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one (CID 78903887) is 1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one is CCCC1CCC(NCc2ccc(CN3CCCC3=O)cc2)CC1.
What is the InChIKey of 1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is MRYRTWPFTNACCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-2-4-17-10-12-20(13-11-17)22-15-18-6-8-19(9-7-18)16-23-14-3-5-21(23)24/h6-9,17,20,22H,2-5,10-16H2,1H3.
What are the key properties of 1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one?
1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 328.50 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 78903887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).