3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide

C28H32N2O3 — CID 45169176

IUPAC3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide
SMILESCOc1ccc(CC2(CCC(=O)NCC(C)c3ccccc3)CCC(=O)N2)c2ccccc12
InChIInChI=1S/C28H32N2O3/c1-20(21-8-4-3-5-9-21)19-29-26(31)14-16-28(17-15-27(32)30-28)18-22-12-13-25(33-2)24-11-7-6-10-23(22)24/h3-13,20H,14-19H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyZKOVVMMZQHXEBU-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.74
Rot. Bonds9

About 3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide

3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide (PubChem CID 45169176) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide
PubChem CID45169176
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide
SMILESCOc1ccc(CC2(CCC(=O)NCC(C)c3ccccc3)CCC(=O)N2)c2ccccc12
InChIInChI=1S/C28H32N2O3/c1-20(21-8-4-3-5-9-21)19-29-26(31)14-16-28(17-15-27(32)30-28)18-22-12-13-25(33-2)24-11-7-6-10-23(22)24/h3-13,20H,14-19H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyZKOVVMMZQHXEBU-UHFFFAOYSA-N
XLogP4.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 42368132
N-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45176527
3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26282696
3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 42248508
3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide
CID 42366710
N-ethyl-N-(2-hydroxyethyl)-3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42167605
methyl (2S)-1-[3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]pyrrolidine-2-carboxylate
CID 26350006
3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
CID 135892921
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
CID 42342953
N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42451722
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 45191753

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide?
The IUPAC name of 3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide (CID 45169176) is 3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide.
What is the SMILES notation for 3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide?
The canonical SMILES for 3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide is COc1ccc(CC2(CCC(=O)NCC(C)c3ccccc3)CCC(=O)N2)c2ccccc12.
What is the InChIKey of 3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide?
The InChIKey is ZKOVVMMZQHXEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-20(21-8-4-3-5-9-21)19-29-26(31)14-16-28(17-15-27(32)30-28)18-22-12-13-25(33-2)24-11-7-6-10-23(22)24/h3-13,20H,14-19H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide?
3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide has a molecular weight of 444.58 g/mol, XLogP of 4.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide is sourced from PubChem (CID 45169176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).