4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide

C21H22N4O2 — CID 46680700

IUPAC4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C21H22N4O2/c26-20(7-3-4-15-14-23-19-6-2-1-5-18(15)19)24-16-8-10-17(11-9-16)25-13-12-22-21(25)27/h1-2,5-6,8-11,14,23H,3-4,7,12-13H2,(H,22,27)(H,24,26)
InChIKeySIZSAVXRIJUFLU-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.66
Rot. Bonds6

About 4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide

4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide (PubChem CID 46680700) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
PubChem CID46680700
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C21H22N4O2/c26-20(7-3-4-15-14-23-19-6-2-1-5-18(15)19)24-16-8-10-17(11-9-16)25-13-12-22-21(25)27/h1-2,5-6,8-11,14,23H,3-4,7,12-13H2,(H,22,27)(H,24,26)
InChIKeySIZSAVXRIJUFLU-UHFFFAOYSA-N
XLogP3.66
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 46412931
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559008
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide
CID 20968974
3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
CID 131909124
N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide
CID 112984004
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 112986190
N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
CID 20579503
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 7926214

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide (CID 46680700) is 4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide is O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(N2CCNC2=O)cc1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The InChIKey is SIZSAVXRIJUFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20(7-3-4-15-14-23-19-6-2-1-5-18(15)19)24-16-8-10-17(11-9-16)25-13-12-22-21(25)27/h1-2,5-6,8-11,14,23H,3-4,7,12-13H2,(H,22,27)(H,24,26).
What are the key properties of 4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide has a molecular weight of 362.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 46680700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).