1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one

C20H30N2O3 — CID 45213710

IUPAC1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2ccc(OCCO)cc2)CN1C1CCCCCC1
InChIInChI=1S/C20H30N2O3/c23-11-12-25-19-9-7-16(8-10-19)14-21-17-13-20(24)22(15-17)18-5-3-1-2-4-6-18/h7-10,17-18,21,23H,1-6,11-15H2
InChIKeyPTBFYFHSZBYGGD-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.47
Rot. Bonds7

About 1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one

1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one (PubChem CID 45213710) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one
PubChem CID45213710
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2ccc(OCCO)cc2)CN1C1CCCCCC1
InChIInChI=1S/C20H30N2O3/c23-11-12-25-19-9-7-16(8-10-19)14-21-17-13-20(24)22(15-17)18-5-3-1-2-4-6-18/h7-10,17-18,21,23H,1-6,11-15H2
InChIKeyPTBFYFHSZBYGGD-UHFFFAOYSA-N
XLogP2.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide
CID 42193726
1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one
CID 45219735
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate
CID 45196937
2-[4-[(cyclohexylamino)methyl]phenoxy]acetamide
CID 2991496
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
(3R)-1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084043
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4246129
1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 87006886
2-[(2S)-1-cyclohexyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 28733456

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one?
The IUPAC name of 1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one (CID 45213710) is 1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one is O=C1CC(NCc2ccc(OCCO)cc2)CN1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one?
The InChIKey is PTBFYFHSZBYGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-11-12-25-19-9-7-16(8-10-19)14-21-17-13-20(24)22(15-17)18-5-3-1-2-4-6-18/h7-10,17-18,21,23H,1-6,11-15H2.
What are the key properties of 1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one?
1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one has a molecular weight of 346.47 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one is sourced from PubChem (CID 45213710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).