N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide

C22H26N2O3 — CID 46635876

IUPACN-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C2CCCN2C(=O)CC(C)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O3/c1-16(23-22(26)18-7-4-3-5-8-18)15-21(25)24-14-6-9-20(24)17-10-12-19(27-2)13-11-17/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,23,26)
InChIKeyYDPAVUKTTJNYSO-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.57
Rot. Bonds6

About N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide

N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide (PubChem CID 46635876) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide
PubChem CID46635876
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C2CCCN2C(=O)CC(C)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O3/c1-16(23-22(26)18-7-4-3-5-8-18)15-21(25)24-14-6-9-20(24)17-10-12-19(27-2)13-11-17/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,23,26)
InChIKeyYDPAVUKTTJNYSO-UHFFFAOYSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 51254000
2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 119687297
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94457866
N-[(2R)-4-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 124816393
N-[1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 78779296
N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 46636840
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
5-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 60953629
4-(difluoromethoxy)-N-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 25479486
N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 24513313

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide (CID 46635876) is N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide is COc1ccc(C2CCCN2C(=O)CC(C)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide?
The InChIKey is YDPAVUKTTJNYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(23-22(26)18-7-4-3-5-8-18)15-21(25)24-14-6-9-20(24)17-10-12-19(27-2)13-11-17/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide?
N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 46635876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).