1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one

C24H26N2O2 — CID 94154287

IUPAC1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
SMILESCOc1ccc2cc(CN[C@H](CN3CCCC3=O)c3ccccc3)ccc2c1
InChIInChI=1S/C24H26N2O2/c1-28-22-12-11-20-14-18(9-10-21(20)15-22)16-25-23(19-6-3-2-4-7-19)17-26-13-5-8-24(26)27/h2-4,6-7,9-12,14-15,23,25H,5,8,13,16-17H2,1H3/t23-/m1/s1
InChIKeyBGVQBTJMCDNJNQ-HSZRJFAPSA-N
MW374.48 g/mol
LogP4.30
Rot. Bonds7

About 1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one

1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one (PubChem CID 94154287) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
PubChem CID94154287
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
SMILESCOc1ccc2cc(CN[C@H](CN3CCCC3=O)c3ccccc3)ccc2c1
InChIInChI=1S/C24H26N2O2/c1-28-22-12-11-20-14-18(9-10-21(20)15-22)16-25-23(19-6-3-2-4-7-19)17-26-13-5-8-24(26)27/h2-4,6-7,9-12,14-15,23,25H,5,8,13,16-17H2,1H3/t23-/m1/s1
InChIKeyBGVQBTJMCDNJNQ-HSZRJFAPSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
CID 94198349
1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 119047897
1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 94154273
1-[(2R)-2-[(4-chlorothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 124625426
1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 94181805
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one
CID 86884933
2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide
CID 94799256
1-[2-(1,3-benzodioxol-4-ylmethylamino)-2-phenylethyl]pyrrolidin-2-one;hydrochloride
CID 56809194
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide
CID 96549349
1-[(2R)-2-phenyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]azepan-2-one
CID 52908937
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
(2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one (CID 94154287) is 1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one is COc1ccc2cc(CN[C@H](CN3CCCC3=O)c3ccccc3)ccc2c1.
What is the InChIKey of 1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one?
The InChIKey is BGVQBTJMCDNJNQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-28-22-12-11-20-14-18(9-10-21(20)15-22)16-25-23(19-6-3-2-4-7-19)17-26-13-5-8-24(26)27/h2-4,6-7,9-12,14-15,23,25H,5,8,13,16-17H2,1H3/t23-/m1/s1.
What are the key properties of 1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one?
1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one has a molecular weight of 374.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 94154287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).