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

C27H29ClN2O3 — CID 45176527

IUPACN-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCOc1ccc(CC2(CCC(=O)NCCc3ccccc3Cl)CCC(=O)N2)c2ccccc12
InChIInChI=1S/C27H29ClN2O3/c1-33-24-11-10-20(21-7-3-4-8-22(21)24)18-27(16-13-26(32)30-27)15-12-25(31)29-17-14-19-6-2-5-9-23(19)28/h2-11H,12-18H2,1H3,(H,29,31)(H,30,32)
InChIKeyUMVWBCLXNKJJIE-UHFFFAOYSA-N
MW464.99 g/mol
LogP4.83
Rot. Bonds9

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

N-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 45176527) has the molecular formula C27H29ClN2O3 and a molecular weight of 464.99 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
PubChem CID45176527
Molecular FormulaC27H29ClN2O3
Molecular Weight464.99 g/mol
Exact Mass464.19
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCOc1ccc(CC2(CCC(=O)NCCc3ccccc3Cl)CCC(=O)N2)c2ccccc12
InChIInChI=1S/C27H29ClN2O3/c1-33-24-11-10-20(21-7-3-4-8-22(21)24)18-27(16-13-26(32)30-27)15-12-25(31)29-17-14-19-6-2-5-9-23(19)28/h2-11H,12-18H2,1H3,(H,29,31)(H,30,32)
InChIKeyUMVWBCLXNKJJIE-UHFFFAOYSA-N
XLogP4.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.99
LogP ≤ 54.83
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
3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26282696
N-[2-(2-methoxyphenyl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45183240
N-[2-(2-fluorophenyl)ethyl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26275115
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
N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42451722
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-[2-(4-methoxynaphthalen-1-yl)ethyl]butanamide
CID 163994355
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 26335072

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide (CID 45176527) is N-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide is COc1ccc(CC2(CCC(=O)NCCc3ccccc3Cl)CCC(=O)N2)c2ccccc12.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is UMVWBCLXNKJJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O3/c1-33-24-11-10-20(21-7-3-4-8-22(21)24)18-27(16-13-26(32)30-27)15-12-25(31)29-17-14-19-6-2-5-9-23(19)28/h2-11H,12-18H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
N-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 464.99 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 45176527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).