N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide

C19H22N2O3 — CID 46994383

IUPACN-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESCCC(CO)N(Cc1ccco1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H22N2O3/c1-2-15(13-22)21(12-16-6-5-9-24-16)19(23)10-14-11-20-18-8-4-3-7-17(14)18/h3-9,11,15,20,22H,2,10,12-13H2,1H3
InChIKeyKSYMLXFQLGHGEQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.10
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide

N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide (PubChem CID 46994383) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide
PubChem CID46994383
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESCCC(CO)N(Cc1ccco1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H22N2O3/c1-2-15(13-22)21(12-16-6-5-9-24-16)19(23)10-14-11-20-18-8-4-3-7-17(14)18/h3-9,11,15,20,22H,2,10,12-13H2,1H3
InChIKeyKSYMLXFQLGHGEQ-UHFFFAOYSA-N
XLogP3.10
TPSA69.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide
CID 50964980
(2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide
CID 1432663
2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide
CID 43583126
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 98310107
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 98310106
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide
CID 45235611
2-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 7535659
1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
CID 95762546
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 17403927
2-chloro-N-[(2S)-1-[furan-2-ylmethyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 55935022
2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82960282
N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide
CID 95228784

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide (CID 46994383) is N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide is CCC(CO)N(Cc1ccco1)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is KSYMLXFQLGHGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-15(13-22)21(12-16-6-5-9-24-16)19(23)10-14-11-20-18-8-4-3-7-17(14)18/h3-9,11,15,20,22H,2,10,12-13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide?
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 46994383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).