3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide

C21H30N2O3 — CID 45237888

IUPAC3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide
SMILESCCC1(CCC(=O)NCC2(c3ccccc3)CCOCC2)CCC(=O)N1
InChIInChI=1S/C21H30N2O3/c1-2-21(11-9-19(25)23-21)10-8-18(24)22-16-20(12-14-26-15-13-20)17-6-4-3-5-7-17/h3-7H,2,8-16H2,1H3,(H,22,24)(H,23,25)
InChIKeyOHNXUMMXJLBSNA-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.69
Rot. Bonds7

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

3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide (PubChem CID 45237888) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide
PubChem CID45237888
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide
SMILESCCC1(CCC(=O)NCC2(c3ccccc3)CCOCC2)CCC(=O)N1
InChIInChI=1S/C21H30N2O3/c1-2-21(11-9-19(25)23-21)10-8-18(24)22-16-20(12-14-26-15-13-20)17-6-4-3-5-7-17/h3-7H,2,8-16H2,1H3,(H,22,24)(H,23,25)
InChIKeyOHNXUMMXJLBSNA-UHFFFAOYSA-N
XLogP2.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 42168999
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26346628
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
CID 27451627
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide
CID 47070990
2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 111430576
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 56553427
ethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate
CID 45186179
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide?
The IUPAC name of 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide (CID 45237888) is 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide?
The canonical SMILES for 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide is CCC1(CCC(=O)NCC2(c3ccccc3)CCOCC2)CCC(=O)N1.
What is the InChIKey of 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide?
The InChIKey is OHNXUMMXJLBSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-2-21(11-9-19(25)23-21)10-8-18(24)22-16-20(12-14-26-15-13-20)17-6-4-3-5-7-17/h3-7H,2,8-16H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide?
3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide has a molecular weight of 358.48 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide is sourced from PubChem (CID 45237888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).