N-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide

C24H27N3O3 — CID 166216090

IUPACN-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(CO)(c2ccccc2)C1
InChIInChI=1S/C24H27N3O3/c1-17(29)26-22(13-18-14-25-21-10-6-5-9-20(18)21)23(30)27-12-11-24(15-27,16-28)19-7-3-2-4-8-19/h2-10,14,22,25,28H,11-13,15-16H2,1H3,(H,26,29)
InChIKeyRZGHIZULHCXVTH-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.38
Rot. Bonds6

About N-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide

N-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 166216090) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
PubChem CID166216090
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(CO)(c2ccccc2)C1
InChIInChI=1S/C24H27N3O3/c1-17(29)26-22(13-18-14-25-21-10-6-5-9-20(18)21)23(30)27-12-11-24(15-27,16-28)19-7-3-2-4-8-19/h2-10,14,22,25,28H,11-13,15-16H2,1H3,(H,26,29)
InChIKeyRZGHIZULHCXVTH-UHFFFAOYSA-N
XLogP2.38
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55936422
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
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N-[(2S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide (CID 166216090) is N-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(CO)(c2ccccc2)C1.
What is the InChIKey of N-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is RZGHIZULHCXVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17(29)26-22(13-18-14-25-21-10-6-5-9-20(18)21)23(30)27-12-11-24(15-27,16-28)19-7-3-2-4-8-19/h2-10,14,22,25,28H,11-13,15-16H2,1H3,(H,26,29).
What are the key properties of N-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
N-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 166216090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).