N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

C21H26N2O3 — CID 70774373

IUPACN-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCc1cc(C)c2[nH]c(C)c(CC(=O)NCC(CO)Cc3ccco3)c2c1
InChIInChI=1S/C21H26N2O3/c1-13-7-14(2)21-19(8-13)18(15(3)23-21)10-20(25)22-11-16(12-24)9-17-5-4-6-26-17/h4-8,16,23-24H,9-12H2,1-3H3,(H,22,25)
InChIKeyMSIHBHDVAUJPSO-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.20
Rot. Bonds7

About N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide (PubChem CID 70774373) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
PubChem CID70774373
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCc1cc(C)c2[nH]c(C)c(CC(=O)NCC(CO)Cc3ccco3)c2c1
InChIInChI=1S/C21H26N2O3/c1-13-7-14(2)21-19(8-13)18(15(3)23-21)10-20(25)22-11-16(12-24)9-17-5-4-6-26-17/h4-8,16,23-24H,9-12H2,1-3H3,(H,22,25)
InChIKeyMSIHBHDVAUJPSO-UHFFFAOYSA-N
XLogP3.20
TPSA78.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31848406
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 70759934
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 113211934
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889006
N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72873733
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide
CID 77082890
N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 6249873
ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate
CID 42944313
N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide
CID 154877114
2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide
CID 135089644
N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 66175804
N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 65036979

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide (CID 70774373) is N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide is Cc1cc(C)c2[nH]c(C)c(CC(=O)NCC(CO)Cc3ccco3)c2c1.
What is the InChIKey of N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The InChIKey is MSIHBHDVAUJPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-13-7-14(2)21-19(8-13)18(15(3)23-21)10-20(25)22-11-16(12-24)9-17-5-4-6-26-17/h4-8,16,23-24H,9-12H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 70774373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).