2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide

C19H24N6O3 — CID 170324322

IUPAC2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide
SMILESCC1(C)C(=O)N(CC(=O)NCCCc2nn[nH]n2)c2c(O)cc(C3CC3)cc21
InChIInChI=1S/C19H24N6O3/c1-19(2)13-8-12(11-5-6-11)9-14(26)17(13)25(18(19)28)10-16(27)20-7-3-4-15-21-23-24-22-15/h8-9,11,26H,3-7,10H2,1-2H3,(H,20,27)(H,21,22,23,24)
InChIKeyICZCZWCOIRBYKB-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.16
Rot. Bonds7

About 2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide

2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide (PubChem CID 170324322) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide
PubChem CID170324322
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide
SMILESCC1(C)C(=O)N(CC(=O)NCCCc2nn[nH]n2)c2c(O)cc(C3CC3)cc21
InChIInChI=1S/C19H24N6O3/c1-19(2)13-8-12(11-5-6-11)9-14(26)17(13)25(18(19)28)10-16(27)20-7-3-4-15-21-23-24-22-15/h8-9,11,26H,3-7,10H2,1-2H3,(H,20,27)(H,21,22,23,24)
InChIKeyICZCZWCOIRBYKB-UHFFFAOYSA-N
XLogP1.16
TPSA124.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide
CID 170376503
4-[[2-(5-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid
CID 170376464
(3S)-1,2,2-trimethyl-5-oxo-N-[3-(2H-tetrazol-5-yl)propyl]pyrrolidine-3-carboxamide
CID 126439441
2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide
CID 170376120
N-heptyl-3-(2H-tetrazol-5-yl)propanamide
CID 67740632
(3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide
CID 126442269
N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide
CID 129191004
2-fluoro-5-(pyrrolidin-3-ylmethyl)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide;hydrochloride
CID 171711219
2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide
CID 95729260
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17401180
2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide
CID 121016619
5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid
CID 129310162

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide (CID 170324322) is 2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide is CC1(C)C(=O)N(CC(=O)NCCCc2nn[nH]n2)c2c(O)cc(C3CC3)cc21.
What is the InChIKey of 2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide?
The InChIKey is ICZCZWCOIRBYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-19(2)13-8-12(11-5-6-11)9-14(26)17(13)25(18(19)28)10-16(27)20-7-3-4-15-21-23-24-22-15/h8-9,11,26H,3-7,10H2,1-2H3,(H,20,27)(H,21,22,23,24).
What are the key properties of 2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide?
2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide is sourced from PubChem (CID 170324322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).