N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide

C18H26N2O3 — CID 124752050

IUPACN-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide
SMILESCCN1C[C@H](CNC(=O)CCc2ccc(C)c(OC)c2)CC1=O
InChIInChI=1S/C18H26N2O3/c1-4-20-12-15(10-18(20)22)11-19-17(21)8-7-14-6-5-13(2)16(9-14)23-3/h5-6,9,15H,4,7-8,10-12H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyIIRPIDAONVEOKO-HNNXBMFYSA-N
MW318.42 g/mol
LogP1.92
Rot. Bonds7

About N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide

N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide (PubChem CID 124752050) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide
PubChem CID124752050
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide
SMILESCCN1C[C@H](CNC(=O)CCc2ccc(C)c(OC)c2)CC1=O
InChIInChI=1S/C18H26N2O3/c1-4-20-12-15(10-18(20)22)11-19-17(21)8-7-14-6-5-13(2)16(9-14)23-3/h5-6,9,15H,4,7-8,10-12H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyIIRPIDAONVEOKO-HNNXBMFYSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 110421276
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 110420777
1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]-3-(2-methoxyethyl)urea
CID 110418747
3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 16919082
2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919044
3-(3,4-dimethoxyphenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide
CID 110741572
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 16919339
N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-2-methoxyacetamide
CID 40911335
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide
CID 110603216
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
CID 110420810
3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110737240
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-methylphenyl)propanamide
CID 110719902

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide?
The IUPAC name of N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide (CID 124752050) is N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide.
What is the SMILES notation for N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide?
The canonical SMILES for N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide is CCN1C[C@H](CNC(=O)CCc2ccc(C)c(OC)c2)CC1=O.
What is the InChIKey of N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide?
The InChIKey is IIRPIDAONVEOKO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-20-12-15(10-18(20)22)11-19-17(21)8-7-14-6-5-13(2)16(9-14)23-3/h5-6,9,15H,4,7-8,10-12H2,1-3H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide?
N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-methoxy-4-methylphenyl)propanamide is sourced from PubChem (CID 124752050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).