4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide

C24H30N2O3 — CID 110633790

IUPAC4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2ccc(CCCN3CCCC3)cc2)cc1
InChIInChI=1S/C24H30N2O3/c1-29-22-12-8-20(9-13-22)23(27)14-15-24(28)25-21-10-6-19(7-11-21)5-4-18-26-16-2-3-17-26/h6-13H,2-5,14-18H2,1H3,(H,25,28)
InChIKeyGSSVWUWHHISTRK-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.33
Rot. Bonds10

About 4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide

4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide (PubChem CID 110633790) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide
PubChem CID110633790
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2ccc(CCCN3CCCC3)cc2)cc1
InChIInChI=1S/C24H30N2O3/c1-29-22-12-8-20(9-13-22)23(27)14-15-24(28)25-21-10-6-19(7-11-21)5-4-18-26-16-2-3-17-26/h6-13H,2-5,14-18H2,1H3,(H,25,28)
InChIKeyGSSVWUWHHISTRK-UHFFFAOYSA-N
XLogP4.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide
CID 110314406
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
3-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 17148804
acetylene;1-[3-(4-methoxyphenyl)propyl]pyrrolidine;6-oxo-6-(4-propan-2-yloxyphenyl)hexanamide
CID 143934945
1-[3-[4-(4-fluorobutoxy)phenyl]propyl]pyrrolidine;6-(4-methoxyphenyl)-6-oxohexanamide
CID 143865998
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328
methyl 4-(3-pyrrolidin-1-ylpropyl)benzoate
CID 10658147
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061
6-(4-methoxyphenyl)-6-oxohexanamide;4-[2-[4-(3-pyrrolidin-1-ylpropyl)phenoxy]ethoxy]benzonitrile
CID 143934806
3-[4-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]phenyl]-2-methylpropanoic acid
CID 120690042
4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108739319

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide?
The IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide (CID 110633790) is 4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide is COc1ccc(C(=O)CCC(=O)Nc2ccc(CCCN3CCCC3)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide?
The InChIKey is GSSVWUWHHISTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-29-22-12-8-20(9-13-22)23(27)14-15-24(28)25-21-10-6-19(7-11-21)5-4-18-26-16-2-3-17-26/h6-13H,2-5,14-18H2,1H3,(H,25,28).
What are the key properties of 4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide?
4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide has a molecular weight of 394.52 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide is sourced from PubChem (CID 110633790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).