1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one

C24H32N2O2 — CID 11303543

IUPAC1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one
SMILESCC(C)(C)c1ccc(COc2ccc(CNCCN3CCCC3=O)cc2)cc1
InChIInChI=1S/C24H32N2O2/c1-24(2,3)21-10-6-20(7-11-21)18-28-22-12-8-19(9-13-22)17-25-14-16-26-15-4-5-23(26)27/h6-13,25H,4-5,14-18H2,1-3H3
InChIKeyGDWXSYXTJKTWIK-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.28
Rot. Bonds8

About 1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one

1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one (PubChem CID 11303543) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one
PubChem CID11303543
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one
SMILESCC(C)(C)c1ccc(COc2ccc(CNCCN3CCCC3=O)cc2)cc1
InChIInChI=1S/C24H32N2O2/c1-24(2,3)21-10-6-20(7-11-21)18-28-22-12-8-19(9-13-22)17-25-14-16-26-15-4-5-23(26)27/h6-13,25H,4-5,14-18H2,1-3H3
InChIKeyGDWXSYXTJKTWIK-UHFFFAOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 11381752
1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17211906
1-[3-[(4-phenylmethoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211904
1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 10292088
N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide
CID 9218948
1-[3-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17212007
1-[3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212137
2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 78863989
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212169
2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39454639
1-[2-(ethylamino)ethyl]piperidin-2-one
CID 61387338

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one (CID 11303543) is 1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one is CC(C)(C)c1ccc(COc2ccc(CNCCN3CCCC3=O)cc2)cc1.
What is the InChIKey of 1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one?
The InChIKey is GDWXSYXTJKTWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-24(2,3)21-10-6-20(7-11-21)18-28-22-12-8-19(9-13-22)17-25-14-16-26-15-4-5-23(26)27/h6-13,25H,4-5,14-18H2,1-3H3.
What are the key properties of 1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one?
1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one has a molecular weight of 380.53 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 11303543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).