3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide

C18H26N2O3 — CID 110737240

IUPAC3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
SMILESCOc1ccccc1CCC(=O)NCC1CC(=O)N(C(C)C)C1
InChIInChI=1S/C18H26N2O3/c1-13(2)20-12-14(10-18(20)22)11-19-17(21)9-8-15-6-4-5-7-16(15)23-3/h4-7,13-14H,8-12H2,1-3H3,(H,19,21)
InChIKeyHYPBMRYKZZXJBQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.00
Rot. Bonds7

About 3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide

3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 110737240) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
PubChem CID110737240
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
SMILESCOc1ccccc1CCC(=O)NCC1CC(=O)N(C(C)C)C1
InChIInChI=1S/C18H26N2O3/c1-13(2)20-12-14(10-18(20)22)11-19-17(21)9-8-15-6-4-5-7-16(15)23-3/h4-7,13-14H,8-12H2,1-3H3,(H,19,21)
InChIKeyHYPBMRYKZZXJBQ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-6-methyl-N-[[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]benzamide
CID 125163766
2-(4-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110737209
3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
CID 110737177
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108922222
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
1-(2-methoxyphenyl)-4-methylpentan-3-one
CID 58133956
3-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)propanamide
CID 110736722
2-(2-methoxyphenoxy)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 16918272
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108935459
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-[(2R)-2-(ethylamino)propyl]-3-(2-methoxyphenyl)propanamide
CID 120652535
N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 110737220

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide (CID 110737240) is 3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide is COc1ccccc1CCC(=O)NCC1CC(=O)N(C(C)C)C1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is HYPBMRYKZZXJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)20-12-14(10-18(20)22)11-19-17(21)9-8-15-6-4-5-7-16(15)23-3/h4-7,13-14H,8-12H2,1-3H3,(H,19,21).
What are the key properties of 3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 110737240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).