2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

C24H27N3O3 — CID 135114158

IUPAC2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESCCCC(=O)c1cn(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c2ccccc12
InChIInChI=1S/C24H27N3O3/c1-2-5-23(28)20-13-27(22-7-4-3-6-19(20)22)14-24(29)26-21-16-30-15-18(21)12-17-8-10-25-11-9-17/h3-4,6-11,13,18,21H,2,5,12,14-16H2,1H3,(H,26,29)/t18-,21-/m1/s1
InChIKeyLEWZVPHIWKNZRG-WIYYLYMNSA-N
MW405.50 g/mol
LogP3.39
Rot. Bonds8

About 2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (PubChem CID 135114158) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
PubChem CID135114158
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESCCCC(=O)c1cn(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c2ccccc12
InChIInChI=1S/C24H27N3O3/c1-2-5-23(28)20-13-27(22-7-4-3-6-19(20)22)14-24(29)26-21-16-30-15-18(21)12-17-8-10-25-11-9-17/h3-4,6-11,13,18,21H,2,5,12,14-16H2,1H3,(H,26,29)/t18-,21-/m1/s1
InChIKeyLEWZVPHIWKNZRG-WIYYLYMNSA-N
XLogP3.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135116798
2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134699637
3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135091628
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
4-phenyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712464
3-methylsulfonyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135100569
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide
CID 135103473
2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134698289
2-(2-methoxyphenoxy)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135094569
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide
CID 4655442
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855

Frequently Asked Questions

What is the IUPAC name of 2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (CID 135114158) is 2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is CCCC(=O)c1cn(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c2ccccc12.
What is the InChIKey of 2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The InChIKey is LEWZVPHIWKNZRG-WIYYLYMNSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-5-23(28)20-13-27(22-7-4-3-6-19(20)22)14-24(29)26-21-16-30-15-18(21)12-17-8-10-25-11-9-17/h3-4,6-11,13,18,21H,2,5,12,14-16H2,1H3,(H,26,29)/t18-,21-/m1/s1.
What are the key properties of 2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 135114158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).