4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide

C24H30N2O3 — CID 56800435

IUPAC4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCCC2C(CC)c2ccccc2)cc1
InChIInChI=1S/C24H30N2O3/c1-3-21(18-9-6-5-7-10-18)22-11-8-16-26(22)23(27)17-25-24(28)19-12-14-20(15-13-19)29-4-2/h5-7,9-10,12-15,21-22H,3-4,8,11,16-17H2,1-2H3,(H,25,28)
InChIKeyKMBPBIOUFFBYEW-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.00
Rot. Bonds8

About 4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide

4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide (PubChem CID 56800435) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide
PubChem CID56800435
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCCC2C(CC)c2ccccc2)cc1
InChIInChI=1S/C24H30N2O3/c1-3-21(18-9-6-5-7-10-18)22-11-8-16-26(22)23(27)17-25-24(28)19-12-14-20(15-13-19)29-4-2/h5-7,9-10,12-15,21-22H,3-4,8,11,16-17H2,1-2H3,(H,25,28)
InChIKeyKMBPBIOUFFBYEW-UHFFFAOYSA-N
XLogP4.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide
CID 95592208
N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide
CID 95592185
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
CID 95592205
4-bromo-N-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 112795586
3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
CID 95300829
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-ethoxybenzamide
CID 136579673
2-methoxy-N-[3-oxo-3-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]propyl]benzamide
CID 95592178
4-amino-3-methoxy-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]butan-1-one
CID 120590724
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703317
1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide
CID 51128375
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
2-[(3S)-1,1-dioxothiolan-3-yl]-1-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethanone
CID 124832355

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide (CID 56800435) is 4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)N2CCCC2C(CC)c2ccccc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide?
The InChIKey is KMBPBIOUFFBYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-21(18-9-6-5-7-10-18)22-11-8-16-26(22)23(27)17-25-24(28)19-12-14-20(15-13-19)29-4-2/h5-7,9-10,12-15,21-22H,3-4,8,11,16-17H2,1-2H3,(H,25,28).
What are the key properties of 4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide?
4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 56800435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).