N-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide

C24H26N2O3 — CID 86972734

IUPACN-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
SMILESCC1Cc2ccccc2N1Cc1occc1C(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C24H26N2O3/c1-17-15-19-6-2-3-7-22(19)26(17)16-23-21(12-14-29-23)24(28)25-13-4-5-18-8-10-20(27)11-9-18/h2-3,6-12,14,17,27H,4-5,13,15-16H2,1H3,(H,25,28)
InChIKeyPMPXDMMKLMOPNT-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.30
Rot. Bonds7

About N-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide

N-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide (PubChem CID 86972734) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
PubChem CID86972734
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
SMILESCC1Cc2ccccc2N1Cc1occc1C(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C24H26N2O3/c1-17-15-19-6-2-3-7-22(19)26(17)16-23-21(12-14-29-23)24(28)25-13-4-5-18-8-10-20(27)11-9-18/h2-3,6-12,14,17,27H,4-5,13,15-16H2,1H3,(H,25,28)
InChIKeyPMPXDMMKLMOPNT-UHFFFAOYSA-N
XLogP4.30
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide
CID 56562145
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide
CID 56567369
N-(3-aminobutyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 119496457
methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate
CID 95274797
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56560988
N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 120830812
N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride
CID 120830811
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[(4-thiomorpholin-4-ylphenyl)methyl]furan-3-carboxamide
CID 56565419
N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56566955
(2R)-2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]propanoic acid
CID 119369916
N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56565449
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56565352

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide (CID 86972734) is N-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide is CC1Cc2ccccc2N1Cc1occc1C(=O)NCCCc1ccc(O)cc1.
What is the InChIKey of N-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?
The InChIKey is PMPXDMMKLMOPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-17-15-19-6-2-3-7-22(19)26(17)16-23-21(12-14-29-23)24(28)25-13-4-5-18-8-10-20(27)11-9-18/h2-3,6-12,14,17,27H,4-5,13,15-16H2,1H3,(H,25,28).
What are the key properties of N-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?
N-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 86972734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).