N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C18H24N2O3 — CID 111445380

IUPACN-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1(O)CCC1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H24N2O3/c21-16-11-15(17(22)19-13-18(23)8-4-9-18)12-20(16)10-7-14-5-2-1-3-6-14/h1-3,5-6,15,23H,4,7-13H2,(H,19,22)
InChIKeyIEMIXPQNPNBBFM-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.11
Rot. Bonds6

About N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 111445380) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID111445380
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1(O)CCC1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H24N2O3/c21-16-11-15(17(22)19-13-18(23)8-4-9-18)12-20(16)10-7-14-5-2-1-3-6-14/h1-3,5-6,15,23H,4,7-13H2,(H,19,22)
InChIKeyIEMIXPQNPNBBFM-UHFFFAOYSA-N
XLogP1.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 94115136
(3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 40515531
5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51187065
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51154778
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 55518785
5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide
CID 51151720
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
(3S)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 95130021
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405841
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 111445380) is N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is O=C(NCC1(O)CCC1)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is IEMIXPQNPNBBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-16-11-15(17(22)19-13-18(23)8-4-9-18)12-20(16)10-7-14-5-2-1-3-6-14/h1-3,5-6,15,23H,4,7-13H2,(H,19,22).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 111445380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).